data_1qnk_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 1qnk _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 ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 m -93.86 152.19 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.43 7.31 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.1 115.03 19.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 108.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.36 -25.86 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG2' ' A' ' 14' ' ' THR . 4.8 tt0 -134.83 178.35 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 10.0 p -158.56 159.73 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 1.8 mt -122.05 134.71 54.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 1.5 tt0 -102.55 68.33 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.49 104.69 2.9 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 4.9 mm -131.52 159.79 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.9 135.17 49.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.644 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 4.9 tp -85.11 8.77 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -90.74 -24.04 20.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.31 -40.75 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.49 127.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.65 -19.14 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.06 156.63 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 25.6 t -128.56 133.05 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.58 123.68 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' B' ' 67' ' ' LEU . 25.6 t -116.15 117.27 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 91.42 3.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -48.29 173.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.39 -160.36 8.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -111.54 -52.97 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.639 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.59 124.7 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.12 24.17 3.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.31 157.81 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 17.1 m -82.47 161.87 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -146.61 79.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t -72.79 122.08 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.2 mt -122.61 116.94 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.72 140.06 41.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -88.21 140.43 29.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.45 153.28 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -77.05 -0.6 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.83 -8.13 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.08 -4.97 33.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -88.39 -172.25 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -144.68 145.4 31.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -132.08 111.66 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' LEU . 7.1 m -70.35 137.36 50.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.7 mt -105.08 164.04 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -97.85 110.19 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 48.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.49 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 t -126.09 147.31 58.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -93.5 -25.49 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.74 -15.4 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 4.14 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -116.86 -15.35 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -16.87 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.9 mt -93.77 -55.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -52.7 -36.27 56.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 2.9 mtmt -70.62 -38.87 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' B' ' 30' ' ' SER . 1.6 mmm -55.64 -38.06 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' B' ' 28' ' ' VAL . 8.1 mp -67.47 -16.5 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.4 mptt -100.68 -28.81 12.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 20.3 t30 62.03 -78.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.6 m -91.46 156.4 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -5.21 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 126.91 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 -21.59 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.58 169.35 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -149.57 165.68 31.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.496 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 20.1 mt -97.55 161.25 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 9.2 tt0 -93.33 -12.26 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.96 98.0 0.49 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.4 mt -100.21 163.19 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.492 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -51.66 135.13 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 34.8 tp -84.01 7.24 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -81.28 -19.25 43.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.46 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 6.0 m-20 -97.74 -40.94 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.472 ' CG2' HD13 ' B' ' 20' ' ' LEU . 2.7 mt -57.77 128.81 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -20.23 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.36 154.5 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' B' ' 63' ' ' ILE . 37.3 t -128.9 132.0 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.76 126.82 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 67' ' ' LEU . 2.2 t -113.29 124.73 70.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -123.83 86.13 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -46.71 173.51 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -74.99 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.06 -157.59 8.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.99 0.85 8.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.9 p-80 -116.59 -58.19 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 44.1 t -101.71 114.53 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' B' ' 37' ' ' GLN . . . -91.54 24.4 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' B' ' 36' ' ' ALA . 36.9 mm-40 -134.18 155.53 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.2 m -82.3 156.3 24.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.86 96.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.25 127.61 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -125.38 116.83 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.65 145.16 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -93.95 131.99 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -78.69 150.5 32.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -3.83 33.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.2 -8.75 24.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.96 -6.92 32.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -86.37 -172.55 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -144.24 144.54 31.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.496 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -136.33 114.94 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.17 143.05 43.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.56 165.7 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.508 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 58.3 t30 -97.67 118.03 64.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.472 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.92 1.77 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.67 21.84 15.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.513 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 6.0 t -119.4 140.43 29.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.06 20.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.443 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -90.6 -13.6 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.6 t -81.3 -17.39 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -93.74 3.41 55.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -16.18 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' B' ' 58' ' ' MET . 17.7 mt -90.28 -16.93 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' B' ' 26' ' ' VAL . 16.5 mt -93.23 -58.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -50.35 -33.87 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.9 OUTLIER -73.95 -37.63 64.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 2.1 mmm -59.96 -42.69 94.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 28' ' ' VAL . 10.1 mp -67.14 -15.6 63.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -101.78 -26.6 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 65' ' ' LYS . 8.2 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -91.98 147.71 22.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -5.32 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 134.67 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.25 -14.98 16.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -135.3 166.81 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -151.96 164.64 36.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.6 mt -94.86 -179.6 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -113.82 -16.12 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.02 100.39 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 7.1 mm -96.29 161.86 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.37 138.81 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 65' ' ' LYS . 11.9 tp -77.19 -0.63 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -85.52 -12.79 50.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' CB ' HD22 ' A' ' 44' ' ' LEU . 1.6 m-20 -104.57 -46.22 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -59.52 132.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 -14.97 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.48 161.72 30.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' A' ' 63' ' ' ILE . 75.3 t -128.4 142.99 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' HG11 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.07 126.59 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.477 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 61.5 t -115.91 100.7 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.1 82.76 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -45.44 170.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -74.95 178.42 7.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.13 -157.69 8.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -117.53 -56.57 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.0 t -103.11 116.93 33.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.79 24.28 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 26.1 mm-40 -137.21 152.4 49.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m -78.46 165.15 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -155.9 83.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -68.08 128.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mt -128.99 108.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.71 141.21 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -88.42 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.39 149.7 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.92 -3.29 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.01 -9.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.5 -8.84 30.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -85.25 -170.85 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -145.1 145.18 31.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -133.58 111.81 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -71.87 139.12 48.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -112.53 160.44 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.06 118.73 66.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.46 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.45 14.48 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 t -114.99 145.41 33.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -41.43 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -24.05 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 17.0 t -76.3 -2.67 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.29 3.11 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -16.23 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -90.35 -16.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 26' ' ' VAL . 17.2 mt -93.53 -57.31 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -53.04 -33.21 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 11.6 mttp -73.99 -35.88 64.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 30' ' ' SER . 1.5 mmm -58.01 -37.39 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.491 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.8 mp -70.06 -15.38 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.77 -28.65 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.7 t-20 61.6 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 46.1 m -98.11 169.85 9.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -101.82 -5.29 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.66 135.83 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -15.98 17.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.43 169.07 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.63 165.41 35.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.481 ' CD1' ' CG1' ' B' ' 18' ' ' ILE . 95.7 mt -103.65 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.6 -13.03 52.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.09 99.74 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.481 ' CG1' ' CD1' ' B' ' 15' ' ' LEU . 4.7 mm -78.74 154.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' HG21 ' B' ' 18' ' ' ILE . 0.3 OUTLIER -48.8 138.56 10.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 47.4 tp -83.01 5.69 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -23.1 20.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -94.1 -49.32 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -47.11 128.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.71 -25.03 9.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.474 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.5 OUTLIER -147.13 159.81 43.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.472 ' CG1' HG12 ' B' ' 63' ' ' ILE . 25.6 t -127.42 133.44 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 17.9 tptp -126.79 120.7 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 67' ' ' LEU . 22.3 t -113.77 118.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.69 90.94 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.47 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.6 OUTLIER -56.01 171.13 0.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.98 170.8 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.84 -160.72 8.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.598 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.57 7.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.598 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.14 -53.37 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.32 123.12 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.38 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 22.0 mm-40 -126.09 153.1 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.482 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -81.34 158.42 24.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.56 81.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.88 124.48 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mm -126.41 152.93 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.69 129.63 21.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.474 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.8 m -81.62 139.48 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.92 149.97 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.1 OUTLIER -73.62 -4.97 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.471 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.2 -8.34 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.36 -5.91 35.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.1 -172.9 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 145.03 31.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' B' ' 15' ' ' LEU . . . -131.53 111.84 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.2 m -69.18 136.62 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 23.5 mt -110.85 158.83 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -93.08 120.07 67.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.482 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.16 15.01 26.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.0 t -114.53 144.49 31.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' B' ' 62' ' ' ILE . 32.9 tpp -59.06 -26.73 64.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.02 -16.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 3.9 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -116.62 -15.98 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' B' ' 58' ' ' MET . 15.3 mt -93.31 -16.57 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' B' ' 26' ' ' VAL . 17.0 mt -93.68 -55.57 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -53.12 -35.8 60.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 69' ' ' ASN . 10.5 mmtt -71.11 -36.78 72.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.477 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 1.5 mmm -59.8 -38.94 83.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 mp -69.44 -15.6 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.33 -23.64 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.6 t30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.6 m -96.8 161.48 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.44 -3.03 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 133.05 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.53 -15.5 18.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.69 169.85 16.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -153.74 165.17 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 18' ' ' ILE . 4.0 mt -104.09 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -97.03 -14.74 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.52 102.63 0.96 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 3.9 mp -95.29 163.89 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -43.97 136.95 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.605 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.71 12.57 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -89.97 -22.19 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 5.3 m-20 -94.67 -39.84 10.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' HD23 ' A' ' 20' ' ' LEU . 1.9 mt -55.42 133.95 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -23.56 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.47 161.32 35.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' A' ' 63' ' ' ILE . 41.0 t -131.45 136.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -129.54 126.6 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 53.8 t -114.67 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 86.2 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -47.32 171.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.02 171.92 17.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 -161.75 9.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.49 7.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.602 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -112.82 -51.37 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.647 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 126.13 54.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.25 23.98 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 34.3 mm-40 -130.18 156.26 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.462 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.7 m -83.26 162.52 21.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -144.96 79.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 52' ' ' LEU . 55.4 t -73.27 114.64 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.18 117.23 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.26 143.7 36.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -91.87 139.77 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -87.54 150.51 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -3.95 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.8 -7.69 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.94 -5.2 36.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -87.36 -172.7 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -145.66 145.58 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -134.79 113.52 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.22 138.54 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 27.9 mt -109.57 165.46 11.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -92.27 112.29 54.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 48.17 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.93 32.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.8 151.99 58.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.15 10.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -82.88 -17.93 42.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.38 -9.77 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -101.99 2.62 38.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 -14.93 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' MET . 12.5 mt -90.69 -17.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 26' ' ' VAL . 15.9 mt -93.85 -57.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -53.21 -29.98 35.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -34.85 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 2.5 mmm -62.0 -35.28 78.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 67' ' ' LEU . 9.0 mp -71.41 -16.01 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -102.94 -31.28 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.2 t30 61.75 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.1 m -100.38 151.33 21.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -3.73 49.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 131.74 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -93.94 -17.76 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.22 170.81 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -154.7 165.12 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.565 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 3.8 mt -97.87 176.61 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -110.77 -13.37 14.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.27 96.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.1 mm -91.74 162.36 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.48 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -58.63 137.41 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 48.2 tp -86.59 10.58 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -92.82 -13.03 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -103.87 -49.1 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.422 HG12 ' CB ' ' B' ' 42' ' ' ALA . 0.8 OUTLIER -45.97 129.25 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -25.05 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.475 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -147.49 163.05 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' B' ' 66' ' ' MET . 25.2 t -131.82 132.46 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.9 tptp -125.51 120.5 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -111.6 115.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -116.2 87.4 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.475 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.2 p -48.84 167.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.77 -160.78 9.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.595 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.595 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.11 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.07 48.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.41 24.5 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.414 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.5 mm-40 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 28.7 m -75.72 163.56 27.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 83.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.27 122.17 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.6 mt -125.22 111.7 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -100.48 130.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.9 m -81.95 144.26 31.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.17 149.94 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -73.51 -4.8 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.488 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.96 -10.3 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.02 -12.44 29.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 30.2 mt-30 -82.86 -175.18 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -143.61 145.83 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.565 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -131.92 110.04 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -67.63 138.28 56.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 165.29 11.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -100.52 116.72 64.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.08 1.02 8.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.21 4.56 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -109.82 147.84 36.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.05 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.407 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.59 -20.55 48.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' B' ' 59' ' ' VAL . 35.3 t -82.84 -3.51 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -107.38 3.55 25.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -15.68 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' B' ' 58' ' ' MET . 15.3 mt -92.47 -16.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 44.0 mt -93.63 -55.68 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.06 -35.47 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.6 OUTLIER -70.8 -35.82 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 1.4 tmm? -57.91 -38.14 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.469 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 7.6 mp -69.51 -15.23 63.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 1.9 ttmt -103.64 -26.63 12.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 9.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 m -94.65 154.5 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 5.74 50.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.74 114.46 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.08 -25.82 23.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.507 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -135.42 178.46 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 10.4 p -158.66 160.32 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.602 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -117.96 139.9 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 1.7 tt0 -98.97 66.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 98.71 1.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mm -118.79 155.05 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.06 132.93 55.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 65' ' ' LYS . 8.9 tp -86.82 13.35 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -89.88 -17.44 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 6.5 m-20 -98.77 -39.97 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 HG12 ' CB ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -57.55 129.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -25.1 8.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.479 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.96 164.87 29.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 29.5 t -131.47 134.98 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' B' ' 27' ' ' LYS . 8.6 tptt -131.47 120.99 23.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' B' ' 67' ' ' LEU . 2.4 t -113.11 121.65 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -124.07 87.05 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -48.17 176.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -74.96 174.83 12.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.49 -162.87 10.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -112.71 -49.63 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 120.4 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.03 24.07 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 18.6 mm-40 -126.12 160.34 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 32.6 m -76.49 161.88 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -144.76 78.12 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.58 124.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.3 mt -128.11 119.32 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -108.72 132.68 53.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.479 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 17.1 m -82.89 145.52 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -93.84 150.75 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.98 -4.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.9 -9.14 24.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.88 -11.81 32.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -82.48 -172.93 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -144.64 145.29 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.602 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -131.43 110.59 11.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 13' ' ' GLN . 7.4 m -67.61 140.25 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 mt -104.27 165.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -98.79 109.05 52.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 45.84 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.97 25.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 44.0 t -128.78 145.12 55.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.511 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 4.5 tpp -101.71 -16.16 16.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 t -80.23 -20.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.7 3.79 54.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.22 -16.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 58' ' ' MET . 20.2 mt -91.32 -17.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.8 mt -92.5 -58.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -48.49 -35.95 14.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.2 mmtt -71.93 -38.08 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 1.1 mmm -57.57 -39.71 77.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' HG13 ' B' ' 28' ' ' VAL . 6.5 mp -68.08 -15.58 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.29 -30.32 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t-20 61.73 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 64.3 m -101.73 145.88 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -2.27 47.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 137.0 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.06 -15.13 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -135.16 168.17 19.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.4 p -152.5 163.94 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' B' ' 50' ' ' ALA . 10.2 mt -95.19 -177.44 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -112.6 -13.71 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.63 101.38 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.5 mm -97.56 159.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.749 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' HD3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -61.88 145.82 51.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 12.1 tp -85.48 7.61 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HD3' ' CG ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -88.84 -20.93 24.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.2 -49.59 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.452 HG23 ' CG ' ' B' ' 66' ' ' MET . 1.5 mt -55.45 128.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -18.06 11.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.77 158.9 42.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' B' ' 63' ' ' ILE . 26.0 t -129.25 133.07 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.19 125.62 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 67' ' ' LEU . 45.8 t -118.51 104.44 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.06 87.31 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -52.74 169.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.481 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -75.01 168.5 24.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.55 -156.9 7.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 2.89 6.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.2 p-80 -113.23 -53.94 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 128.19 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.346 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' B' ' 37' ' ' GLN . . . -97.35 23.13 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.481 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 2.9 mt-30 -131.33 158.3 41.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -89.75 162.35 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -155.09 95.56 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -82.07 123.0 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.39 107.44 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.18 138.57 36.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -86.46 135.71 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.04 150.46 26.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -3.5 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.08 -8.28 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.12 -9.87 33.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.07 -172.56 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -144.21 144.72 31.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' B' ' 15' ' ' LEU . . . -135.82 114.15 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -74.86 138.93 42.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 mt -111.81 161.26 16.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -95.88 118.56 65.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.4 8.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.02 1.65 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.424 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 15.0 t -99.58 143.41 26.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -29.79 7.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -20.68 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' B' ' 56' ' ' SER . 40.4 t -78.92 -5.13 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 3.19 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -15.9 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 16.4 mt -91.71 -16.47 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' B' ' 26' ' ' VAL . 19.1 mt -93.97 -54.64 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.32 -34.05 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 9.8 mmtp -72.9 -33.71 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.452 ' CG ' HG23 ' B' ' 23' ' ' ILE . 1.0 OUTLIER -59.18 -37.67 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.481 ' CD1' HG12 ' A' ' 28' ' ' VAL . 8.4 mp -69.06 -15.37 63.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.45 -29.99 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 25.0 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.1 m -97.1 169.26 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.335 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -1.86 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 119.82 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.59 -14.89 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.503 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.1 OUTLIER -127.8 173.32 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 p -158.45 165.72 33.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 13.3 mt -104.89 -178.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -90.39 -13.16 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 148.24 -31.97 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 16.1 mm 55.6 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -72.3 141.25 48.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 7.8 tp -81.28 -0.33 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 29.4 mtpt -86.95 -8.44 57.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.33 -38.86 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.7 132.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.49 -25.11 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.427 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -148.03 157.05 43.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 63' ' ' ILE . 39.5 t -127.59 136.11 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -132.45 125.64 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' B' ' 67' ' ' LEU . 0.5 OUTLIER -113.65 125.5 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 87.68 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.445 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -53.97 174.84 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.99 176.58 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.34 -160.93 9.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.25 7.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.47 -49.28 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 124.32 51.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.58 24.68 6.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 8.7 mm-40 -128.4 162.16 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.6 m -90.35 172.78 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 8.0 pt-20 -168.91 113.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.82 127.73 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.36 108.91 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.64 137.65 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 19.4 m -86.37 135.9 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 149.46 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.31 -2.68 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.46 -8.63 22.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.43 -1.17 34.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -91.62 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.733 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -144.08 144.93 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.57 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -140.08 117.43 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.74 146.06 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 mt -112.19 163.79 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 61.5 t30 -92.37 117.1 67.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.37 11.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.57 17.21 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 11.1 t -119.25 140.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.2 8.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -20.34 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 53' ' ' ASN . 2.1 t -70.45 -18.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.13 3.97 54.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -114.34 -16.61 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.509 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 13.4 mt -94.64 -16.67 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 HG12 ' CG1' ' A' ' 26' ' ' VAL . 27.1 mt -93.85 -55.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.33 -36.12 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.9 mttm -73.17 -32.7 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.469 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.62 -38.31 87.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 67' ' ' LEU . 8.5 mp -69.1 -15.63 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -102.75 -30.36 10.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 61.62 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 55.5 m -93.55 146.91 23.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -5.1 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 136.6 26.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -104.15 -15.99 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.504 ' O ' ' CG2' ' B' ' 14' ' ' THR . 1.0 OUTLIER -134.62 172.57 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.9 165.91 34.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.54 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 9.7 mt -105.11 174.73 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -86.48 -11.98 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' B' ' 62' ' ' ILE . . . 147.1 -40.46 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 3.7 mt 55.45 164.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.508 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -60.99 150.44 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 2.3 tm? -98.18 9.21 43.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -87.48 -21.28 25.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.42 -36.24 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.43 ' CG2' HD23 ' B' ' 20' ' ' LEU . 2.3 mt -59.12 132.96 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.65 -25.28 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.43 164.07 38.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.95 131.73 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.445 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 11.0 tptm -123.72 118.92 28.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.22 121.5 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.4 OUTLIER -120.79 81.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.438 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -43.63 167.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -75.03 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.811 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.86 -158.32 7.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.592 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 1.51 7.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.592 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -112.45 -53.0 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 53.3 t -112.63 119.36 37.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 24.05 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.433 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.5 mp0 -129.77 153.7 47.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 6.2 m -77.78 157.37 30.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.68 87.63 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.08 126.2 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.7 mp -124.94 111.98 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.34 129.42 45.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -80.32 145.05 32.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.62 150.63 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -4.42 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.447 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.34 -9.43 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.84 -12.73 29.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -81.13 -173.7 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -146.23 145.06 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.54 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -135.07 112.24 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -66.39 140.31 58.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -111.34 164.24 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -97.97 116.75 65.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.469 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.05 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.4 t -110.6 143.6 28.51 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.84 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -80.81 -19.82 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.08 -4.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -107.75 3.61 24.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -14.88 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' B' ' 58' ' ' MET . 15.4 mt -92.81 -16.48 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 17.2 mt -94.87 -54.82 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -54.04 -35.09 61.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.11 -36.27 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 30' ' ' SER . 0.8 OUTLIER -56.34 -37.38 69.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 28' ' ' VAL . 8.1 mp -68.7 -15.64 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -102.45 -29.16 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.8 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -97.98 164.6 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -4.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 129.77 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.37 -15.87 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.35 168.44 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -153.95 165.53 35.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 53.7 mt -96.31 -179.27 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.52 -14.3 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.91 100.53 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 7.5 mt -99.94 163.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.2 t-160 -53.73 136.17 40.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 44.4 tp -84.19 9.28 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.57 -15.3 49.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 6.9 m-80 -102.59 -42.47 5.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CG2' HD13 ' A' ' 20' ' ' LEU . 2.0 mt -54.06 130.94 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -24.99 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.01 164.9 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.2 t -130.47 134.81 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 10.2 tptm -127.98 119.92 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' B' ' 67' ' ' LEU . 68.9 t -111.73 113.72 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 82.12 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.95 172.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 165.79 30.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.23 -160.8 8.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.56 -53.03 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.19 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.56 24.08 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -128.41 157.28 41.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 57.9 m -80.27 165.46 22.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -153.8 83.08 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -79.48 126.12 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.46 115.17 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.09 135.0 43.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -86.36 139.18 31.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -86.46 150.24 24.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -4.78 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.73 -8.59 25.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.93 -11.85 32.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -81.75 -173.91 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -146.77 145.0 29.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.51 110.04 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -68.1 136.62 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.6 mt -111.56 166.03 11.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.02 121.22 52.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 0.51 8.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.49 11.82 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 35.9 t -108.95 146.74 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 39.1 t -71.87 -8.35 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 3.29 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -118.58 -15.77 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.18 -16.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.406 ' O ' HD11 ' A' ' 67' ' ' LEU . 15.6 mt -93.7 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.37 -35.48 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ASN . 2.6 mtpm? -71.24 -35.22 71.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.475 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -56.7 -41.04 76.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' B' ' 28' ' ' VAL . 8.7 mp -66.35 -15.5 63.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.18 -32.47 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LYS . 19.8 t-20 61.4 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.65 167.52 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -2.91 34.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.58 139.37 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.54 -13.86 14.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -132.61 166.15 22.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -151.95 165.06 35.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' B' ' 50' ' ' ALA . 4.5 mt -110.17 169.26 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -84.68 -14.7 47.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.59 103.92 0.84 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.3 mt -80.73 157.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.401 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.4 OUTLIER -52.57 149.4 5.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 15.2 tp -87.1 10.92 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' B' ' 21' ' ' LYS . 0.1 OUTLIER -91.28 -18.74 23.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.05 -49.97 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.436 HG12 ' CB ' ' B' ' 42' ' ' ALA . 1.3 mt -48.35 131.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 -25.14 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.444 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.9 OUTLIER -155.05 164.73 38.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.98 130.27 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 41' ' ' ILE . 13.6 tptt -121.26 120.28 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 66' ' ' MET . 55.5 t -109.66 119.75 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 30' ' ' SER . 5.5 tmtt? -118.69 78.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.442 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -46.46 172.37 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.431 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.04 170.18 20.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.93 -158.01 7.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.652 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.1 p-80 -113.52 -56.86 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 123.09 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 108.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.86 24.59 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 26.7 mm-40 -131.0 160.04 35.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 84.9 m -86.38 169.46 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.98 86.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.72 137.14 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.9 mp -130.09 108.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.436 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -94.1 128.33 40.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -79.59 141.56 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.51 150.91 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.69 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.448 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.51 -8.95 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.66 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 65.1 mt-30 -84.48 -175.17 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.3 mptt -143.45 144.96 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' B' ' 15' ' ' LEU . . . -130.45 109.72 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.93 137.28 57.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.6 mt -110.59 164.58 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -96.06 119.13 65.11 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.74 12.99 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 29.6 t -110.87 143.86 29.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.83 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -26.2 68.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.67 -17.35 21.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -96.84 3.67 52.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -116.4 -15.55 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 mt -94.84 -16.46 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 mt -94.86 -53.65 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 44.0 mt-10 -55.91 -34.04 65.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.4 OUTLIER -76.85 -30.47 56.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.7 mmm -60.82 -36.32 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 28' ' ' VAL . 9.3 mp -70.32 -15.29 62.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.67 -32.44 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' LYS . 18.2 t-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.6 161.95 13.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.353 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.61 -1.63 58.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 133.9 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.92 -16.62 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -131.59 169.31 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -153.94 164.85 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' CYS . 13.1 mt -95.06 177.37 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -112.69 -12.85 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.37 99.19 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 4.7 mm -98.95 157.46 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -57.59 139.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.0 tp -86.99 12.29 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -91.64 -20.55 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 5.4 m-20 -97.23 -42.54 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -55.19 129.97 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.6 -22.11 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.465 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -153.05 163.61 39.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 24.5 t -127.93 133.34 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -123.22 123.84 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' B' ' 67' ' ' LEU . 2.8 t -116.17 119.53 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 89.42 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.486 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -52.89 171.6 0.22 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.1 Cg_endo -75.08 162.0 37.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.44 8.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.62 7.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -116.03 -54.73 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.43 123.25 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.32 24.4 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 22.8 mt-30 -130.62 158.94 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.441 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 6.2 m -81.21 158.14 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -145.26 95.66 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.05 126.21 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 1.6 mp -127.9 109.44 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.74 136.42 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.7 m -86.62 142.53 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -90.86 150.41 21.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.472 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -73.75 -4.25 33.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.65 -8.91 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.93 -8.44 33.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -84.57 -173.05 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -145.78 144.94 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -131.06 110.88 11.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.75 138.26 52.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 108.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 mt -112.52 165.63 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -100.52 118.98 59.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.03 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.06 1.35 42.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.5 t -101.31 145.45 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.86 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -26.93 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.4 t -70.43 -12.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.3 mmmm -98.93 4.04 47.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -116.49 -16.0 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mt -93.86 -16.52 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.6 mt -93.54 -54.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 56.1 mt-10 -54.7 -35.89 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -71.28 -35.51 71.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 2.4 mmm -59.38 -37.88 79.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 67' ' ' LEU . 8.5 mp -69.13 -15.29 63.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.79 -33.78 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' LYS . 11.8 t30 61.91 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 1.6 mtp-105 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 60.7 m -98.73 142.15 30.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.84 5.87 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.85 114.63 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -89.96 -25.5 20.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.492 ' O ' ' CG2' ' B' ' 14' ' ' THR . 2.9 tm0? -135.4 177.31 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.51 159.59 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' B' ' 51' ' ' CYS . 7.4 mt -123.05 152.83 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 2.8 tm0? -70.02 -15.26 62.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.19 104.63 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.7 mt -93.96 163.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.8 OUTLIER -54.91 126.59 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -55.86 -18.57 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -23.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' B' ' 20' ' ' LEU . 13.4 m-80 -99.81 -48.23 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.03 129.49 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -17.99 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.461 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -157.15 154.88 30.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' B' ' 66' ' ' MET . 50.7 t -127.39 136.4 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.29 124.91 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.4 t -104.81 124.23 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.51 83.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -49.14 170.61 0.13 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.426 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 166.29 29.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.97 -159.75 8.03 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.597 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.57 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.597 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.71 -56.03 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 0.1 OUTLIER -108.39 124.31 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.8 24.12 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.426 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.6 mm-40 -126.78 162.32 26.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' B' ' 39' ' ' GLU . 23.8 m -80.37 162.7 24.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' B' ' 38' ' ' THR . 2.4 mp0 -148.85 92.75 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -90.25 117.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.16 112.74 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.67 137.47 39.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -88.14 140.55 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.29 150.18 22.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -73.7 -5.02 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.37 -8.3 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.02 -8.28 36.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -84.66 -173.37 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -144.69 144.76 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' B' ' 15' ' ' LEU . . . -133.26 113.16 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 13' ' ' GLN . 7.7 m -68.72 138.09 54.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 mt -106.08 162.77 13.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -93.12 111.92 53.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 48.13 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.34 31.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -122.4 148.47 52.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.4 18.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 tpp -90.26 -25.96 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.53 -16.2 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -95.54 3.78 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -117.9 -16.69 9.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.81 -16.66 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.462 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.9 mt -94.02 -57.15 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.91 -33.38 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -26.49 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.8 mmm -69.48 -37.59 77.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' A' ' 28' ' ' VAL . 8.8 mp -72.03 -15.64 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.64 -31.31 9.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 65' ' ' LYS . 16.0 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.5 m -98.62 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.22 -3.51 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 134.79 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.11 -16.26 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' CG2' ' A' ' 14' ' ' THR . 4.9 tt0 -134.65 170.56 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 p -154.77 165.14 37.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' CYS . 11.0 mt -99.06 176.03 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -100.12 -12.9 19.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.13 97.47 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 13.9 mt -96.05 162.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -49.17 138.26 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD21 ' CD ' ' A' ' 65' ' ' LYS . 24.7 tp -74.54 -2.75 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -72.59 -7.14 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.444 ' CB ' HD22 ' A' ' 44' ' ' LEU . 5.4 m-80 -112.37 -31.68 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 20' ' ' LEU . 3.0 mt -76.42 129.96 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.94 -22.7 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.9 160.67 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' ' HE1' ' A' ' 66' ' ' MET . 79.4 t -134.62 142.4 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -144.29 124.79 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG13 ' CD1' ' B' ' 67' ' ' LEU . 77.8 t -113.96 127.83 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -122.67 91.1 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -50.31 174.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.3 Cg_endo -74.97 178.18 7.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.22 -161.64 10.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.95 1.5 7.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.615 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -114.67 -46.91 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.52 125.25 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.0 24.76 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 20.7 mt-30 -129.75 159.97 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -89.17 163.21 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 7.6 pt-20 -154.71 115.34 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.19 123.49 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mp -120.37 121.78 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.35 140.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -90.53 131.95 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.58 148.87 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.35 -2.41 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.3 -9.06 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.72 31.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.39 -171.62 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -144.74 144.97 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -136.0 113.79 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.28 138.86 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -113.26 159.61 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -93.54 121.23 65.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.69 11.91 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -103.64 141.32 22.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.9 7.73 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 tpp -76.58 -25.13 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.95 -14.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -95.9 3.3 53.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -115.27 -15.27 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.404 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 12.9 mt -95.72 -16.28 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 mt -96.18 -52.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -57.51 -36.24 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' CD ' HD21 ' A' ' 20' ' ' LEU . 1.8 ptpt -79.4 -23.27 43.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.511 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.7 OUTLIER -67.17 -33.49 75.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' B' ' 28' ' ' VAL . 9.7 mp -72.37 -15.63 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.6 tttt -105.06 -33.16 8.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.8 t30 61.43 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.449 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 80.4 m -87.45 149.1 24.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . 0.476 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.52 -1.61 56.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . 0.466 ' HB2' ' CG ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -144.59 132.67 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -102.62 -16.45 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.514 ' O ' ' CG2' ' B' ' 14' ' ' THR . 1.8 tp60 -129.14 172.98 10.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 8.8 p -158.89 164.95 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 51' ' ' CYS . 4.8 mt -100.14 178.72 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -112.24 -13.04 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.22 98.77 0.16 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' B' ' 15' ' ' LEU . 3.4 mm -95.06 156.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -56.6 140.22 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 13.5 tp -87.76 12.22 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.42 ' HG3' ' CD2' ' B' ' 19' ' ' HIS . 7.5 mttt -95.77 -19.09 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -98.34 -45.0 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.76 128.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.68 -24.61 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.431 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.4 OUTLIER -147.82 160.55 42.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.953 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' B' ' 63' ' ' ILE . 39.2 t -128.77 133.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -125.65 123.85 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 67' ' ' LEU . 72.4 t -115.88 114.93 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.06 88.67 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.511 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -53.37 168.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.438 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 158.23 42.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.13 -160.5 8.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.637 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.0 2.77 6.25 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.637 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.1 p-80 -112.43 -46.07 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 1.2 m -127.71 122.61 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.85 23.78 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.9 mm-40 -127.56 148.48 50.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 18.1 m -69.9 160.82 31.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' B' ' 10' ' ' GLN . 1.6 tt0 -148.12 91.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.46 126.15 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.9 mp -130.56 110.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.2 133.1 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.0 m -84.07 136.62 33.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.67 150.13 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -4.15 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.468 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.81 -10.57 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.05 -8.97 29.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.93 -172.19 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -144.79 144.6 31.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' B' ' 15' ' ' LEU . . . -133.43 111.55 10.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.52 138.57 49.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.407 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 24.5 mt -111.02 158.52 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.95 118.63 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.472 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.84 22.01 16.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 27.4 t -121.13 143.23 36.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.41 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -26.18 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' B' ' 52' ' ' LEU . 2.5 t -72.41 -15.15 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 4.11 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -115.66 -15.88 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.53 -16.41 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.439 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.6 mt -94.8 -54.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -54.84 -35.22 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.9 mttt -73.18 -33.81 65.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 1.6 mmm -62.97 -37.89 88.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 28' ' ' VAL . 9.6 mp -70.71 -15.68 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 -27.99 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 7.7 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.0 m -81.91 165.92 20.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -103.22 -4.61 24.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 137.36 25.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.51 -14.63 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' O ' ' CG2' ' A' ' 14' ' ' THR . 2.3 tm0? -133.95 173.51 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 19.8 p -156.26 165.75 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.0 mt -106.99 -178.75 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -88.47 -13.38 40.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . 146.93 -34.7 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 18.8 mm 55.63 164.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -64.62 138.51 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 48.2 tp -84.82 8.06 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -86.76 -18.13 31.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 3.3 m-20 -99.49 -44.13 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.31 128.21 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.93 -21.83 10.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.77 161.17 42.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 63' ' ' ILE . 72.4 t -129.66 142.25 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -137.74 125.52 22.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 86.3 t -114.4 109.56 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 88.31 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 1.1 p -57.29 169.29 0.76 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.948 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 157.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.45 -158.66 7.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.98 0.83 8.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -111.2 -53.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 126.84 54.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 23.64 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 31.9 mm-40 -127.76 154.1 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 m -85.89 165.06 17.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.54 105.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -88.44 125.82 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.44 111.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.64 139.28 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.6 m -88.72 131.02 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.3 150.21 35.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.484 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -74.96 -4.41 38.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.35 -9.65 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 108.42 -2.05 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.59 -171.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 47' ' ' GLY . 2.4 mptt -142.22 144.61 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -138.51 113.23 9.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.92 141.49 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' CD2' ' HA3' ' A' ' 17' ' ' GLY . 11.3 mt -111.52 160.18 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -91.08 117.37 67.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.55 19.76 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -118.74 142.16 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.41 11.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.762 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 tpp -77.98 -19.69 54.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 t -79.26 -12.51 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -97.14 3.87 51.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -118.31 -15.7 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.434 ' CD1' ' HA2' ' A' ' 17' ' ' GLY . 15.6 mt -91.14 -16.78 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 HG12 ' CG1' ' A' ' 26' ' ' VAL . 17.0 mt -93.41 -57.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -51.87 -36.27 47.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' ASN . 31.1 mmtt -71.33 -35.38 71.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.49 -39.44 80.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.2 mp -68.97 -15.51 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -102.42 -27.77 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.4 t-20 61.51 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 m -97.9 160.67 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -5.08 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 137.29 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.35 -15.04 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -135.09 171.25 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -153.17 165.97 33.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.578 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 6.6 mt -102.61 134.33 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 1.7 tt0 -98.11 66.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.97 102.08 2.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' B' ' 15' ' ' LEU . 2.6 mm -123.51 158.84 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -65.24 131.54 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' B' ' 62' ' ' ILE . 1.2 tm? -89.73 17.15 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -94.83 -24.26 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 4.3 m-20 -93.46 -35.95 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' B' ' 20' ' ' LEU . 2.1 mt -56.8 132.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.71 -25.32 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.461 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.6 OUTLIER -146.97 165.0 31.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.99 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.477 ' CG2' ' HE1' ' B' ' 66' ' ' MET . 30.6 t -131.6 136.05 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -129.15 122.34 29.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 67' ' ' LEU . 5.2 t -114.33 119.24 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 98.65 5.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -58.77 173.5 0.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.03 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.33 -162.31 11.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 1.51 7.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.7 p-80 -113.77 -48.73 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 120.3 38.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.7 24.5 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.6 mm-40 -128.89 154.42 46.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.0 m -80.56 156.0 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -135.0 88.14 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.12 125.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 mm -126.05 154.25 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.415 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -142.27 128.16 19.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.4 m -80.18 140.52 36.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -88.72 150.05 23.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.47 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.58 -4.93 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.461 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.07 -8.48 25.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.0 -10.08 34.1 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.94 -173.05 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -145.12 144.65 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.578 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -130.3 110.8 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.2 m -67.91 140.3 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.8 mt -111.32 164.38 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -101.57 114.78 65.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.469 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.69 5.64 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 25.3 t -105.2 142.09 23.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.91 8.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.3 59.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 10.4 t -71.55 -13.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.66 3.77 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -117.48 -15.46 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' B' ' 20' ' ' LEU . 14.1 mt -91.41 -17.34 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.64 -57.47 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.39 -34.73 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.8 mmtt -73.82 -35.57 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.495 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 1.9 mmm -62.04 -36.08 80.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.485 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 mp -71.33 -15.72 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -29.21 11.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.1 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.07 168.92 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -4.46 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 127.67 18.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.19 -13.47 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -130.56 171.67 12.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 7.7 p -159.74 165.02 33.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mt -112.79 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.01 -15.01 55.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.52 102.16 0.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -84.84 163.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -46.66 138.19 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 62' ' ' ILE . 2.0 tm? -84.01 7.36 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' CG ' ' A' ' 19' ' ' HIS . 2.0 pttm -87.97 -10.32 50.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 4.1 m-20 -107.14 -38.83 5.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.0 130.27 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.74 -25.3 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.13 164.87 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -130.2 134.1 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -124.45 122.02 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' B' ' 67' ' ' LEU . 13.6 t -115.4 119.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.62 86.32 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.1 OUTLIER -51.84 174.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.96 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' CYS . . . -142.36 -159.47 7.95 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.2 8.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -113.63 -49.82 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -113.31 124.82 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.78 23.71 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -130.44 159.01 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.434 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.5 m -89.49 157.35 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 2.3 pm0 -146.0 72.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 54' ' ' PRO . 32.1 t -64.7 135.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.9 mp -131.47 155.4 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.27 133.14 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.4 m -84.4 139.57 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -88.3 150.25 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -73.82 -4.49 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.94 -7.82 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.77 -8.01 36.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.69 -173.74 4.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -145.04 144.42 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -132.56 112.52 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.34 137.86 46.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -115.22 165.2 13.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -99.61 122.81 50.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.03 -5.19 16.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.54 21.14 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 t -120.34 143.86 36.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.431 ' CG ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -59.46 -23.88 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.84 -14.06 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -97.33 3.47 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -117.49 -15.02 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CG2' HD21 ' A' ' 20' ' ' LEU . 14.6 mt -93.75 -16.16 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.1 mt -93.05 -54.57 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.44 -35.62 60.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -37.22 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -39.94 65.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.2 mp -68.16 -14.61 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -105.32 -18.6 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 69' ' ' ASN . 19.0 t-20 62.88 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 m -97.38 163.63 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.21 -4.63 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 136.77 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.6 -15.05 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.09 170.92 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -152.37 165.1 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 8.8 mt -101.58 -177.54 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.57 -14.64 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' B' ' 62' ' ' ILE . . . 147.5 -35.64 1.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.0 mm 55.79 164.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -69.04 137.0 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 9.3 tp -80.28 3.22 21.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.6 OUTLIER -83.63 -15.4 49.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.43 -39.01 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.63 138.62 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HB2' ' CA ' ' B' ' 45' ' ' LYS . 0.1 OUTLIER -115.39 -24.73 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.01 161.98 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' B' ' 63' ' ' ILE . 25.1 t -126.52 132.36 70.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -123.05 122.64 38.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 67' ' ' LEU . 1.2 t -111.79 117.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 90.34 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -55.19 172.55 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.93 178.38 7.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -161.87 10.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -111.42 -50.53 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.38 122.59 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 24.15 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 34.8 mm-40 -126.92 154.81 43.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.464 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 56.0 m -79.46 165.01 23.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 75.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.92 124.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.447 ' CD1' ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.88 160.01 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.75 126.51 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -76.98 133.31 39.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 149.76 30.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.94 -1.97 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.478 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.22 -9.56 22.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 1.31 34.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 38.4 mt-30 -96.25 -171.21 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -142.56 147.28 35.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -134.47 111.85 10.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.447 ' SG ' ' CD1' ' B' ' 41' ' ' ILE . 1.2 m -69.26 140.08 54.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 108.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -113.07 162.26 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -94.58 117.55 66.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.464 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.9 7.49 30.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -106.44 145.59 31.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.447 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.48 -19.47 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 t -80.07 -9.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.27 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 -15.53 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' HA2' ' B' ' 17' ' ' GLY . 20.0 mt -90.99 -16.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' B' ' 26' ' ' VAL . 22.9 mt -94.45 -56.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -54.07 -35.2 61.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 72.0 mttt -72.02 -33.43 68.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 0.8 OUTLIER -61.41 -38.62 87.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 28' ' ' VAL . 7.7 mp -69.16 -15.5 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -29.92 11.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 22.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 m -94.72 164.87 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 108.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -101.09 -5.82 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 135.25 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.26 -18.3 15.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -132.14 168.56 17.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -153.5 165.17 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 18.5 mt -91.12 178.53 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -111.69 -13.17 13.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 98.83 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 4.9 mm -97.45 158.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-80 -57.98 148.75 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 6.6 tp -90.57 19.29 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -9.5 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.9 m-20 -108.55 -33.57 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -67.14 125.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -104.71 -25.59 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -152.21 161.5 42.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 23.9 t -127.57 129.28 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 17.5 tptp -120.01 120.89 37.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 47.4 t -109.83 116.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 92.87 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -59.71 171.23 0.87 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.96 19.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.13 -161.36 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -113.4 -50.29 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.48 117.13 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.68 23.97 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 13.1 mm-40 -127.17 148.05 50.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.462 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.9 m -77.7 155.29 31.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -134.98 79.12 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.74 118.56 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -120.33 154.79 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -144.13 134.72 24.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.495 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.9 m -80.09 143.08 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.45 154.27 17.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HD2' ' CA ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -74.34 -6.08 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.43 -9.77 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.97 -12.84 31.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 50.8 mt-30 -83.04 -171.21 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -142.86 144.97 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -126.25 112.16 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.78 137.03 56.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.02 156.45 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -90.78 119.1 69.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.02 -1.74 11.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.11 7.32 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 t -106.28 141.23 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -23.67 66.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 t -75.3 -3.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -104.25 3.44 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -15.98 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 20.0 mt -91.29 -16.73 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 ' CG2' HG13 ' A' ' 26' ' ' VAL . 43.4 mt -93.32 -56.42 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.92 -36.87 60.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' ASN . 9.1 mttt -70.41 -35.65 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -59.9 -39.47 85.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 67' ' ' LEU . 7.9 mp -68.51 -15.67 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -102.1 -27.84 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.0 t-20 61.76 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.6 m -101.09 169.52 8.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.02 -2.37 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 134.96 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -103.23 -15.02 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.05 171.76 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.0 p -155.85 165.41 36.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 5.6 mt -108.12 132.92 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -64.92 -11.9 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.64 98.76 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.2 mm -94.36 162.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.471 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -54.63 136.75 45.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 37.4 tp -86.26 10.57 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.38 -11.6 51.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.461 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 5.7 m-80 -108.09 -39.21 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -56.66 130.08 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -22.26 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.72 165.05 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' B' ' 63' ' ' ILE . 53.5 t -133.54 138.17 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.433 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -133.11 126.95 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.416 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 69.9 t -115.87 112.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 84.51 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.418 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -45.34 165.16 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.415 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.02 165.48 31.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.44 -159.85 8.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -113.26 -48.55 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 124.32 51.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.4 24.41 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.8 mm-40 -130.35 152.07 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 47.5 m -72.56 165.08 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.65 91.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.41 119.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.37 110.49 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.57 146.58 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -94.32 133.48 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -79.71 150.59 30.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.476 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -74.72 -3.24 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.474 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.78 -9.72 22.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.51 -7.76 30.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -86.31 -171.34 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -144.51 144.68 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -132.45 112.25 11.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.82 140.06 49.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.274 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 mt -110.19 165.08 12.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.496 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 50.0 t30 -100.34 118.28 61.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.479 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.84 16.39 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 8.9 t -117.12 142.06 29.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.78 15.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -19.66 57.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.2 t -71.52 -18.31 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.63 3.55 55.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -117.35 -15.8 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 15.0 mt -91.65 -16.83 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' B' ' 26' ' ' VAL . 32.6 mt -91.59 -57.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.57 -36.71 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.7 OUTLIER -70.07 -36.31 74.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.471 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 2.3 mmm -61.7 -40.8 96.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.425 HD11 ' N ' ' B' ' 67' ' ' LEU . 7.7 mp -69.29 -15.55 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.01 13.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.37 157.82 37.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -6.0 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.62 128.64 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.47 -21.2 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.2 OUTLIER -128.8 172.22 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 2.4 p -158.5 165.32 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 9.8 mt -95.59 174.4 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -106.72 -13.29 15.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.453 ' HA3' ' CD1' ' A' ' 62' ' ' ILE . . . 146.23 95.36 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 2.0 mm -88.76 162.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -58.06 139.03 55.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 15.9 tp -82.79 6.01 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -94.02 -16.77 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -97.26 -42.29 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -59.4 132.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -24.46 9.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.94 161.14 42.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 28.7 t -129.95 132.59 65.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -123.21 122.07 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' CG1' HD13 ' B' ' 67' ' ' LEU . 54.4 t -111.75 115.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.53 94.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -55.25 175.66 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 179.23 6.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.41 -159.85 8.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.96 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.696 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -114.73 -54.25 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 52.7 t -106.0 118.08 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 23.89 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.7 mp0 -133.41 155.55 49.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.467 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 63.4 m -77.06 163.04 27.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 11' ' ' CYS . 61.7 mm-40 -144.65 78.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 63' ' ' ILE . 54.2 t -74.98 127.54 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 ' CD1' ' SG ' ' A' ' 51' ' ' CYS . 1.4 mm -126.05 160.15 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -149.14 129.83 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -82.06 128.15 33.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.76 148.9 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.13 -3.21 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.8 -10.08 23.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.68 -9.48 30.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 24.1 mt-30 -86.4 -172.58 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 1.4 mttt -140.64 149.3 42.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -134.92 112.61 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -72.01 137.82 47.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.9 158.31 19.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -98.85 121.34 56.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.97 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.02 18.91 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 t -117.24 142.64 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.88 7.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -25.66 53.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.86 -10.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -101.13 3.66 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -117.45 -16.19 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 13.9 mt -91.6 -16.84 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 40' ' ' VAL . 15.9 mt -93.98 -56.16 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.4 -35.1 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mtpt -71.69 -33.91 69.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 30' ' ' SER . 1.5 tmm? -61.11 -38.62 86.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' B' ' 28' ' ' VAL . 7.8 mp -69.73 -15.55 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.7 mmtt -102.78 -27.14 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . 28.0 t-20 62.12 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 30.1 m -97.2 156.44 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.79 -3.56 58.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 126.62 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.5 -18.02 27.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.451 ' O ' ' CG2' ' B' ' 14' ' ' THR . 5.7 tt0 -135.13 173.55 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 3.8 p -157.41 165.18 36.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 51' ' ' CYS . 24.5 mt -104.9 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 10.8 tt0 -98.91 -8.18 26.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 125.02 100.97 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.4 mt -86.27 160.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.3 OUTLIER -52.55 141.93 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -78.55 0.44 26.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -78.96 -15.56 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.7 -55.79 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.99 129.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -19.16 13.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.32 157.7 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' B' ' 63' ' ' ILE . 42.4 t -130.87 135.56 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.43 127.13 38.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 67' ' ' LEU . 14.0 t -113.25 121.71 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.01 87.26 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.472 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -45.65 170.36 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.98 176.37 10.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -162.33 10.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -112.37 -49.69 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 120.07 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.89 24.31 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 23.1 mm-40 -125.77 154.88 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 16.7 m -80.18 160.54 25.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 109.85 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -106.97 117.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.97 115.82 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.85 146.67 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -95.34 131.38 41.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.71 150.03 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 5.3 tppt? -74.66 -4.46 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.21 -8.86 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.62 -8.02 32.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 45.1 mt-30 -85.9 -172.35 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.258 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.0 OUTLIER -142.29 145.04 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.41 113.51 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.62 139.66 42.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 108.265 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.1 mt -110.21 165.27 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 59.4 t30 -96.33 121.09 61.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.48 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.75 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.17 21.1 17.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 9.5 t -118.28 144.06 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -20.86 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.31 -19.72 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.1 OUTLIER -94.32 3.52 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.19 -16.15 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.42 HD12 ' CA ' ' B' ' 17' ' ' GLY . 16.7 mt -91.45 -16.87 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.483 HG12 ' CG1' ' B' ' 26' ' ' VAL . 14.8 mt -92.18 -57.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.65 -35.41 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' B' ' 69' ' ' ASN . 5.0 mmtt -75.88 -29.41 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 30' ' ' SER . 2.8 mmm -69.65 -36.89 76.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' A' ' 28' ' ' VAL . 9.2 mp -74.34 -15.32 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -105.82 -19.97 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.7 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.5 m -94.91 142.71 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -4.47 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 128.4 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.08 -17.91 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.476 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -128.02 173.24 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 2.0 p -159.44 165.27 33.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.1 mt -110.82 137.75 48.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -68.31 -13.91 62.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.07 100.25 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 3.4 mm -93.56 159.21 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.88 132.8 32.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.51 12.8 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -91.71 -19.76 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 3.5 m-20 -98.35 -36.88 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' HD23 ' A' ' 20' ' ' LEU . 2.1 mt -55.44 131.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -24.7 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.75 163.71 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 t -130.32 132.93 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ILE . 20.0 tptt -129.46 121.54 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' B' ' 67' ' ' LEU . 9.7 t -115.73 120.94 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -122.26 87.33 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -47.02 175.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.5 Cg_endo -75.0 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.14 -157.41 7.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.93 0.92 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.602 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -116.69 -58.73 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.6 t -100.47 115.12 29.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' H ' ' NE2' ' A' ' 37' ' ' GLN . . . -92.58 24.71 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.9 mp0 -136.33 152.45 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.426 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 20.9 m -74.26 163.96 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.1 77.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.25 132.44 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 2.0 mp -129.45 118.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.76 134.54 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -83.51 140.74 32.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.56 150.21 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.59 -4.71 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.04 -7.8 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.71 -10.57 35.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -81.4 -172.74 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -145.38 144.67 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -132.06 110.65 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.13 140.38 48.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.6 mt -106.37 166.34 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 41.4 t30 -96.03 110.18 50.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.98 46.4 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.99 27.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 31.0 t -127.26 146.74 59.2 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.86 10.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.773 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -99.37 -21.38 16.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 53' ' ' ASN . 2.6 t -73.31 -22.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -94.33 3.49 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -116.33 -16.21 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 58' ' ' MET . 11.8 mt -94.15 -15.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.14 -55.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 73.2 mt-10 -51.38 -34.55 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -76.54 -34.45 58.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.492 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 1.0 OUTLIER -59.05 -36.27 74.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' B' ' 28' ' ' VAL . 8.5 mp -69.89 -15.3 63.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpt -104.05 -31.28 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t30 61.27 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.484 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 78.4 m -102.22 164.64 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -4.78 27.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 137.41 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -103.7 -15.03 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -135.19 168.21 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 0.9 OUTLIER -151.57 164.89 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 51' ' ' CYS . 5.5 mt -96.79 -175.3 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -106.26 -13.26 15.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.32 98.8 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 7.9 mt -91.47 163.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -52.52 139.16 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 1.6 tm? -87.75 12.75 12.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.2 OUTLIER -92.2 -24.02 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -92.68 -33.57 14.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' B' ' 20' ' ' LEU . 1.3 mt -59.93 133.75 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -113.34 -23.41 9.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.4 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -151.2 165.46 33.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' B' ' 63' ' ' ILE . 29.7 t -131.19 140.49 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' CE ' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tptt -133.57 123.22 24.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 67' ' ' LEU . 15.3 t -116.94 103.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 92.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.492 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -61.77 171.46 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.99 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.35 -158.79 17.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.23 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.73 121.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.18 24.17 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.3 mt-30 -129.93 159.5 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 36.6 m -86.61 164.48 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' CB ' ' B' ' 9' ' ' CYS . 0.5 OUTLIER -147.3 74.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -72.71 123.75 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.432 ' CD1' ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -125.82 151.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.423 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -138.68 126.3 22.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.4 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 22.0 m -79.3 141.13 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.37 151.42 21.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.42 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -74.29 -4.78 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.457 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.12 -8.59 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.74 -10.11 34.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -82.92 -174.18 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -146.12 144.62 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -129.63 110.74 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.432 ' SG ' ' CD1' ' B' ' 41' ' ' ILE . 1.3 m -68.86 137.0 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 20.4 mt -110.96 161.49 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 121.37 64.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 -3.97 14.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.65 16.37 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -114.03 141.24 25.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.02 9.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -24.83 60.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' B' ' 52' ' ' LEU . 3.7 t -73.64 -13.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.445 ' HE3' ' CD2' ' A' ' 67' ' ' LEU . 6.5 mmmm -98.21 2.84 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -117.42 -15.47 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.469 ' CG2' HD21 ' B' ' 20' ' ' LEU . 16.4 mt -92.22 -16.51 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' B' ' 26' ' ' VAL . 19.6 mt -93.55 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -52.74 -35.78 56.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 69' ' ' ASN . 45.2 mttt -71.32 -35.67 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 1.2 mmm -60.21 -38.9 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 28' ' ' VAL . 7.7 mp -69.99 -15.53 63.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 -23.86 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 65' ' ' LYS . 17.5 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.53 156.41 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 108.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -91.75 -4.7 54.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.99 120.96 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.64 -14.79 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.518 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.2 OUTLIER -126.61 172.64 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 2.4 p -160.86 165.85 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 3.8 mt -110.24 150.45 28.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 4.3 tm0? -81.94 -15.03 55.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.38 101.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -97.48 155.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 139.29 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 41.7 tp -86.6 11.57 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -91.26 -19.67 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 5.2 m-20 -96.75 -42.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.81 128.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -19.29 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.13 159.45 41.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 39.7 t -129.92 135.53 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -134.02 127.37 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 72.1 t -116.52 108.89 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 86.42 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.09 170.48 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 162.6 36.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.09 -156.87 7.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.697 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.89 -0.65 10.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.697 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -117.28 -52.99 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.645 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.05 122.05 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.59 24.34 9.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 5.8 mp0 -140.46 157.24 45.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 75.9 m -70.53 165.27 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 69.4 mm-40 -153.19 76.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.65 126.3 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.7 mp -129.65 105.8 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.56 139.47 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -87.34 132.21 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -78.81 150.0 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.37 -4.0 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.46 -9.63 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.54 -10.35 30.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -85.23 -172.18 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 147.36 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -136.52 113.38 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.39 140.21 46.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 108.27 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -106.73 160.44 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' LEU . 41.4 t30 -88.67 112.94 53.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.96 49.09 2.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -123.2 149.66 58.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.81 8.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 24.5 tpp -83.05 -24.41 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.76 -16.13 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 4.26 44.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -117.97 -15.87 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 58' ' ' MET . 19.0 mt -93.24 -16.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG12 ' CG1' ' A' ' 26' ' ' VAL . 18.1 mt -93.94 -56.14 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -52.23 -36.76 53.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -69.6 -36.94 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.474 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -57.25 -41.47 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.73 -15.93 63.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -101.07 -30.52 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.4 t30 61.82 -78.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.05 164.09 26.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -5.55 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 135.22 24.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.64 -15.13 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -134.64 165.23 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -151.37 165.28 34.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 4.8 mt -106.4 147.27 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.03 -12.17 60.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.19 103.25 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 11.3 mt -82.72 161.01 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.457 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 2.2 t-160 -53.09 148.49 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 8.5 tp -88.43 13.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.42 -4.39 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -114.86 -39.35 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.33 129.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.426 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.14 -25.06 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.451 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.1 OUTLIER -152.62 163.02 40.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' B' ' 63' ' ' ILE . 68.4 t -128.41 139.3 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 10.1 tptm -131.51 120.44 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' B' ' 27' ' ' LYS . 14.0 t -111.39 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -113.92 79.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.424 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -44.52 169.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.3 Cg_endo -74.99 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -158.11 8.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.52 7.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -114.12 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 42.3 t -111.81 120.95 43.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.8 24.44 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.5 mm-40 -133.35 152.74 51.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.454 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -76.7 159.54 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -146.35 83.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.54 128.26 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.5 mt -124.51 109.02 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' B' ' 52' ' ' LEU . . . -96.92 128.18 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 19.9 m -79.6 140.94 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.18 151.06 21.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.426 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.1 OUTLIER -73.87 -5.17 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.84 -8.61 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.442 ' O ' ' CE ' ' B' ' 49' ' ' LYS . . . 107.98 -9.65 36.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 64.9 mt-30 -84.25 -175.19 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' B' ' 47' ' ' GLY . 0.0 OUTLIER -143.47 144.3 31.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -133.59 111.53 10.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -62.81 138.02 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.432 ' CD1' ' HB1' ' B' ' 42' ' ' ALA . 22.9 mt -110.92 158.5 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -91.46 117.55 67.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.454 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.97 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.4 27.37 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -122.74 144.81 43.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.05 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -25.29 60.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 59' ' ' VAL . 2.6 t -74.15 -6.19 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -101.27 3.33 40.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -119.05 -15.72 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.47 -16.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.0 mt -95.62 -56.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -54.99 -32.44 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' B' ' 61' ' ' LYS . 23.9 mmtp -76.04 -32.57 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.4 mmm -65.69 -36.3 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.485 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 9.6 mp -72.07 -15.46 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -29.51 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' LYS . 10.7 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 69.5 m -77.37 141.45 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -79.67 0.04 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.2 114.58 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.06 -26.05 29.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 2.1 tm0? -136.17 169.31 17.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 p -155.07 159.07 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 18' ' ' ILE . 11.8 mt -114.67 172.25 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -116.08 70.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 62' ' ' ILE . . . 86.49 101.39 0.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' A' ' 15' ' ' LEU . 94.3 mt -101.83 153.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.415 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -62.39 138.72 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 11.7 tp -88.93 16.87 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -96.7 -18.36 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 6.3 m-80 -104.64 -42.86 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.5 129.38 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.15 -21.93 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -151.57 160.0 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 63' ' ' ILE . 31.8 t -128.69 133.83 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -126.69 123.71 38.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' CG1' ' HE1' ' B' ' 66' ' ' MET . 0.4 OUTLIER -112.72 121.09 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.06 95.22 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -52.85 175.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -75.06 174.11 13.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.5 -161.53 9.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.655 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -111.04 -51.2 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -116.46 124.49 50.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.05 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.4 mt-30 -127.97 160.07 33.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.502 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 26.4 m -76.2 162.0 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.48 92.27 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.15 127.3 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.8 113.91 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.17 138.0 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 16.0 m -86.97 141.48 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.31 149.57 22.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -73.77 -4.7 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.49 -8.72 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 106.21 0.23 38.15 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 31.5 mt-30 -94.86 -171.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 3.9 mptt -143.45 145.96 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . . . -130.65 110.9 11.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 8.1 m -68.11 134.8 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 18' ' ' ILE . 29.1 mt -110.68 163.81 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -100.71 122.39 49.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.502 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.02 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.43 12.0 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -108.29 142.26 24.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.35 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tpp -68.99 -25.87 64.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -70.36 -10.34 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.92 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -116.83 -15.75 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 17' ' ' GLY . 13.5 mt -93.88 -16.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG12 ' CG1' ' A' ' 26' ' ' VAL . 16.7 mt -94.12 -53.63 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.77 -34.73 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.5 mttm -74.18 -30.88 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 1.3 mmm -61.86 -37.39 84.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' B' ' 28' ' ' VAL . 9.0 mp -70.01 -15.41 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.1 ttpp -103.29 -30.21 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.1 t30 61.97 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.093 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 16.8 m -98.95 163.84 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -3.37 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 125.88 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -91.02 -16.66 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.412 ' O ' ' CG2' ' B' ' 14' ' ' THR . 0.1 OUTLIER -134.67 172.04 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 11.5 p -154.97 165.6 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 51' ' ' CYS . 2.7 mt -101.74 170.52 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 5.6 tm0? -92.55 -10.1 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.474 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 126.06 101.64 1.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.0 mt -88.89 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -52.02 146.89 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -89.23 16.47 7.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' CD ' ' B' ' 21' ' ' LYS . 9.7 tppt? -98.23 -5.59 32.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.56 -50.26 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.4 135.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -25.56 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.72 154.62 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HG3' ' B' ' 66' ' ' MET . 41.8 t -129.56 132.92 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.35 125.0 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 67' ' ' LEU . 73.1 t -112.55 121.04 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 92.58 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -51.06 173.78 0.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 175.97 10.53 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.4 -161.77 9.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.619 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.619 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.47 -52.32 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.07 122.47 47.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.6 23.68 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 7.4 mt-30 -127.36 159.72 33.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.5 m -85.34 157.1 20.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.79 102.18 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.5 t -97.08 121.33 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.18 117.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.53 144.84 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 17.4 m -93.83 131.26 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.63 148.44 36.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.96 -3.79 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.461 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.13 -8.86 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.68 -3.92 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.409 ' OE1' ' ND2' ' B' ' 46' ' ' ASN . 52.0 mt-30 -89.51 -172.08 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 147.98 35.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.03 117.52 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -78.99 141.92 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.277 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.2 mt -113.39 165.11 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -98.57 119.87 60.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.466 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -2.81 13.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.53 19.86 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 17.5 t -114.05 144.01 30.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.4 5.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 tpp -72.46 -24.68 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.13 -11.98 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.7 3.36 55.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.16 -15.1 9.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' B' ' 20' ' ' LEU . 18.4 mt -90.62 -16.92 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.456 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.8 mt -94.64 -56.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -54.09 -35.51 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 69' ' ' ASN . 39.9 mttt -71.16 -33.72 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.467 ' HG3' ' CG2' ' B' ' 26' ' ' VAL . 1.2 tmm? -60.57 -43.14 97.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.424 HD11 ' N ' ' B' ' 67' ' ' LEU . 6.8 mp -66.73 -15.52 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -101.52 -28.11 12.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 65' ' ' LYS . 15.7 t30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.6 m -93.68 150.78 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -5.58 47.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.43 129.77 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -91.66 -19.2 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -135.05 172.21 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 16.2 p -156.52 165.32 36.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mt -96.79 172.14 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 12.1 tt0 -101.75 -7.5 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.1 97.64 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.5 mm -88.05 154.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -49.49 137.4 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.575 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 55.2 tp -81.93 4.56 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -87.69 -15.54 36.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 8.4 m-20 -101.02 -49.86 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' CB ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -51.69 127.49 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 -18.69 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.456 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -152.8 161.32 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 55.2 t -132.01 142.51 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -141.23 127.21 19.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -115.36 115.27 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.09 88.02 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.475 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -48.13 172.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.54 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.04 1.84 7.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.8 p-80 -117.17 -56.31 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 45.0 t -102.33 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.29 24.6 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 37.6 mm-40 -135.9 160.51 38.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 m -89.07 155.11 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -144.35 89.43 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t -77.31 122.73 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.4 mm -118.95 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -118.61 139.33 51.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -90.29 135.94 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.58 150.73 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.37 -4.2 34.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.16 -9.44 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.52 -7.22 31.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.36 -171.79 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -145.04 144.85 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.88 111.73 12.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' LEU . 1.3 m -69.6 135.57 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -114.33 165.98 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -108.37 120.92 45.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.35 1.08 46.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -103.21 145.32 30.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 30.6 tpp -59.92 -25.81 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.05 -14.71 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -95.83 4.11 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -116.22 -15.23 11.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 mt -94.75 -16.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG12 ' CG1' ' A' ' 26' ' ' VAL . 16.6 mt -94.01 -53.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 70.4 mt-10 -55.8 -35.67 66.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 4.7 mttm -72.13 -33.76 68.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.483 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 2.1 mmm -60.45 -38.21 83.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' B' ' 28' ' ' VAL . 8.7 mp -68.98 -15.61 63.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -102.7 -31.48 10.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.9 t-20 61.52 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.84 164.99 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.86 8.02 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -87.36 -25.98 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.402 ' O ' ' CG2' ' B' ' 14' ' ' THR . 2.7 tt0 -135.91 178.95 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 1.4 p -157.18 160.57 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 2.6 mt -110.69 -161.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 16.5 tt0 -112.65 0.59 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . 0.481 ' HA2' ' CD1' ' B' ' 62' ' ' ILE . . . 136.62 -39.7 1.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.7 mm 55.88 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -63.78 146.05 54.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 12.1 tp -91.37 8.97 33.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.84 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -97.69 -39.34 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -57.58 129.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.34 -25.49 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 163.44 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.413 HG11 ' N ' ' B' ' 27' ' ' LYS . 46.9 t -126.45 137.3 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 7.8 tptm -126.27 118.46 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 67' ' ' LEU . 4.0 t -110.88 114.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.2 OUTLIER -117.69 83.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.9 OUTLIER -46.91 174.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.441 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.06 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.72 -158.15 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.79 7.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.26 -55.64 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.639 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.77 124.96 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.54 24.06 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.4 mp0 -132.02 157.61 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.409 ' C ' ' OE1' ' B' ' 39' ' ' GLU . 25.6 m -83.49 162.97 20.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' B' ' 38' ' ' THR . 2.0 pm0 -156.22 87.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 23.0 t -78.24 133.63 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.1 mp -125.67 110.01 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' B' ' 52' ' ' LEU . . . -94.64 129.49 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -82.49 141.95 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.33 151.53 20.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.75 -4.89 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.47 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.05 -8.78 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.06 -10.82 34.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -82.54 -173.04 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -145.51 143.95 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -128.27 110.68 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' B' ' 15' ' ' LEU . 7.6 m -63.32 134.96 56.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 42' ' ' ALA . 23.2 mt -110.9 165.86 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.95 109.45 51.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' B' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 47.69 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.59 29.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -123.7 147.88 54.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . 0.47 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 18.2 Cg_endo -75.04 -13.57 21.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -96.97 -22.68 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' B' ' 59' ' ' VAL . 10.7 t -85.35 -4.49 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -108.18 2.51 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' HD2' ' B' ' 60' ' ' LYS . 8.2 mttp -115.0 -17.73 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' B' ' 58' ' ' MET . 13.5 mt -89.88 -18.03 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 41.9 mt -89.76 -59.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -48.72 -37.84 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.87 -38.02 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 30' ' ' SER . 2.0 mmm -57.3 -38.58 74.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.487 HD11 ' N ' ' B' ' 67' ' ' LEU . 4.7 mp -68.42 -15.92 63.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.0 OUTLIER -101.42 -28.3 12.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' B' ' 68' ' ' LYS . 16.7 t30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 m -95.48 162.46 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -94.38 -4.64 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -141.19 126.62 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -98.4 -14.03 20.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -132.43 168.62 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 52' ' ' LEU . 1.1 p -153.38 165.11 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 3.6 mt -109.72 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.09 -14.86 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 52' ' ' LEU . . . 138.47 -31.07 2.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 10.2 mt 55.85 164.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -54.38 137.64 41.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -86.6 11.64 12.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 7.8 mttm -90.93 -23.13 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -93.68 -34.34 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.453 ' CG2' HD23 ' A' ' 20' ' ' LEU . 1.6 mt -57.77 134.19 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -25.51 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.45 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -152.51 161.92 41.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' A' ' 63' ' ' ILE . 47.3 t -129.41 137.94 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 126.82 27.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' B' ' 67' ' ' LEU . 61.8 t -120.6 117.95 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 100.75 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -59.15 170.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.92 -158.54 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.605 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.605 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -118.43 -56.87 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 44.8 t -100.18 113.59 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 108.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 24.27 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.4 mp0 -131.51 157.44 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.3 m -78.73 160.74 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -146.31 102.05 3.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -100.9 122.32 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.73 107.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.62 133.13 40.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.45 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.7 m -82.02 141.46 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.32 150.77 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -3.67 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.4 -8.19 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.57 -2.94 36.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 52.6 mt-30 -90.68 -173.79 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -145.03 144.41 30.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -133.48 113.66 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.62 140.23 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 ' CD2' ' HA3' ' A' ' 17' ' ' GLY . 16.4 mt -112.46 165.38 12.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -100.77 116.45 64.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.94 2.0 7.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.23 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.445 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 11.6 t -118.07 141.72 29.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.64 11.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.496 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -84.16 -17.5 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 25.5 t -81.02 -13.25 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -99.75 3.92 45.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -117.75 -15.66 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 58' ' ' MET . 14.3 mt -92.78 -17.26 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG12 ' CG1' ' A' ' 26' ' ' VAL . 19.7 mt -92.55 -56.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -51.21 -36.76 43.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -73.24 -34.32 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.438 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.1 tmm? -58.55 -40.2 82.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD11 ' N ' ' A' ' 67' ' ' LEU . 7.0 mp -67.12 -16.06 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -101.78 -29.97 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' LYS . 13.9 t-20 61.18 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' B' ' 39' ' ' GLU . 34.0 m -99.9 169.35 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -3.43 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.5 138.06 30.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.08 -14.14 15.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -130.93 166.31 21.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.4 p -152.36 165.31 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 6.1 mt -103.71 157.88 16.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 1.6 tt0 -114.58 71.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.34 99.39 0.62 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.407 HG13 ' CD1' ' B' ' 15' ' ' LEU . 6.5 mm -112.42 157.6 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.34 131.63 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 11.7 tp -88.03 14.4 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -100.23 -8.86 23.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' B' ' 45' ' ' LYS . 1.8 m-20 -110.46 -27.47 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' B' ' 42' ' ' ALA . 0.7 OUTLIER -67.09 128.09 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.492 ' CA ' ' HD2' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -100.56 -24.6 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -165.42 165.57 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' B' ' 63' ' ' ILE . 44.3 t -125.53 136.47 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 9.8 tptm -125.41 120.69 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.448 ' N ' ' HD2' ' B' ' 27' ' ' LYS . 59.8 t -107.19 117.55 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 81.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -47.96 163.1 0.3 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 161.21 39.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.04 -158.81 9.35 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.593 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.72 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.593 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -110.97 -54.26 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -110.92 121.26 44.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.339 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.71 23.67 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.44 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.0 OUTLIER -127.6 151.29 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' B' ' 54' ' ' PRO . 23.5 m -78.0 161.77 27.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' SG ' ' B' ' 9' ' ' CYS . 1.2 tp10 -140.19 69.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 62.6 t -69.15 121.36 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.37 151.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.412 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -135.71 122.69 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.447 ' N ' ' O ' ' B' ' 25' ' ' SER . 17.7 m -74.76 142.19 44.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.26 154.18 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.492 ' HD2' ' CA ' ' B' ' 24' ' ' GLN . 1.3 mptm? -74.25 -6.39 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.49 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.9 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.95 -12.4 31.97 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -80.61 -170.4 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -145.45 143.93 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -123.66 107.18 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -63.13 138.77 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.9 mt -109.44 165.89 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.441 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 19.3 t30 -96.82 110.29 52.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.468 ' CB ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.05 46.5 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.51 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 28.5 t -127.62 147.56 63.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.497 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -99.36 -19.15 17.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 3.6 t -75.77 -19.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.545 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -95.29 3.67 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -117.23 -15.85 10.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' B' ' 58' ' ' MET . 10.7 mt -92.99 -16.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' B' ' 26' ' ' VAL . 14.8 mt -94.3 -55.69 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.93 -34.89 60.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 6.3 mtpt -72.73 -35.32 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.8 mmm -62.93 -38.94 92.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 28' ' ' VAL . 9.4 mp -70.69 -15.41 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.63 -27.2 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 6.2 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 57.3 m -83.85 160.21 21.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -91.77 -5.36 53.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 132.1 20.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -92.24 -18.79 22.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -135.15 168.19 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -151.45 165.4 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.439 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' CYS . 17.6 mt -99.43 -178.17 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -103.41 -14.21 16.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.481 ' CA ' ' CD1' ' A' ' 62' ' ' ILE . . . 134.26 100.64 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 50' ' ' ALA . 24.2 mt -85.0 158.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -55.42 141.57 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.6 tp -78.34 0.68 24.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -80.3 -4.59 53.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -115.73 -57.58 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 HG12 ' CB ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -42.05 129.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.27 -24.45 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.56 162.68 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 25.5 t -129.79 138.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.02 123.95 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' B' ' 67' ' ' LEU . 24.9 t -119.92 118.54 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.29 98.73 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -57.65 171.54 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.05 21.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.46 -159.66 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.626 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.1 p-80 -110.75 -53.52 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.08 124.42 52.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.326 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.17 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.78 152.09 51.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.224 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.464 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 33.1 m -82.02 162.62 22.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.71 86.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' C ' ' CD1' ' A' ' 41' ' ' ILE . 43.4 t -76.72 128.01 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.7 mm -124.22 131.53 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -119.8 134.14 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 18.4 m -87.79 135.4 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 149.93 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.09 -4.38 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.33 -8.94 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.79 -10.02 32.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -173.05 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.242 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.57 144.54 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 18' ' ' ILE . . . -128.23 108.88 10.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' LEU . 1.1 m -66.31 137.19 56.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 19.5 mt -114.86 156.38 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -93.21 123.59 60.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.99 1.21 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.56 14.72 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -111.77 145.15 32.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.98 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -27.14 68.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 52' ' ' LEU . 5.2 t -69.51 -16.17 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.79 3.66 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -116.39 -15.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' ' CA ' ' A' ' 17' ' ' GLY . 15.1 mt -94.15 -16.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.5 mt -93.76 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 62.8 mt-10 -51.8 -36.39 47.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -73.65 -33.52 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.504 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -61.23 -36.47 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.7 mp -69.66 -15.69 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.2 mmtt -103.78 -29.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 62.15 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 m -97.4 141.02 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -5.99 47.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.61 134.97 24.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -102.37 -15.02 16.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -135.08 168.24 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -152.81 165.57 34.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' B' ' 51' ' ' CYS . 13.2 mt -103.33 176.63 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 5.0 tm0? -94.61 -11.01 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.63 95.25 0.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.9 mt -77.61 163.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.493 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -51.75 135.65 28.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 36.3 tp -80.36 3.21 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -86.92 -4.33 59.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -112.91 -44.93 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.26 135.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -115.02 -25.64 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.58 159.11 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' B' ' 63' ' ' ILE . 42.9 t -133.99 139.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -134.65 127.04 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 67' ' ' LEU . 2.7 t -108.99 114.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -108.17 86.58 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -54.57 171.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -75.02 -174.13 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.78 -158.95 15.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.6 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.6 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.78 -56.56 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -113.95 119.27 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 108.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.6 24.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.461 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 11.8 mt-30 -129.37 159.09 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 14.9 m -87.02 160.34 18.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -147.28 91.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 54.2 t -87.0 109.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.437 ' CD1' ' SG ' ' B' ' 51' ' ' CYS . 1.4 mm -106.84 133.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.97 130.08 53.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 33.4 m -86.68 138.68 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 149.02 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.18 -4.41 32.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.14 -7.5 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.79 -8.38 36.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -82.46 -175.95 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -146.75 144.59 29.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.63 112.16 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.1 m -69.01 137.69 53.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' B' ' 14' ' ' THR . 24.3 mt -110.11 165.58 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.502 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 60.8 t30 -94.12 120.73 65.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.478 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.08 23.57 13.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.481 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 4.7 t -116.83 143.31 31.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.3 14.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.3 tpp -76.0 -20.55 57.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.88 -20.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.69 4.06 54.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -116.72 -15.82 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.5 mt -92.6 -16.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' B' ' 26' ' ' VAL . 14.4 mt -92.77 -55.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -53.32 -36.07 60.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 22.4 mmtm -76.34 -27.57 56.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.5 ' CE ' ' OG ' ' A' ' 30' ' ' SER . 1.2 mmm -70.25 -38.67 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 28' ' ' VAL . 9.2 mp -72.3 -15.53 61.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 -27.22 12.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.9 t-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 65.6 m -78.01 157.49 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -2.06 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.68 133.3 22.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.8 -16.13 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -134.37 168.2 19.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -151.99 165.46 34.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.4 mt -107.31 140.08 40.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 16.9 tt0 -64.95 -11.02 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 99.13 1.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 9.2 mt -94.39 162.48 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.3 t-160 -48.14 136.48 11.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' CG2' ' A' ' 23' ' ' ILE . 15.1 tp -80.67 2.77 24.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -19.49 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 20.1 m-80 -102.87 -43.72 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.502 ' CG2' HD13 ' A' ' 20' ' ' LEU . 5.6 mt -56.22 133.69 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.429 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.78 -24.28 9.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.92 157.15 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 63' ' ' ILE . 38.6 t -127.09 134.43 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -128.75 127.02 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -107.32 133.34 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 30' ' ' SER . 2.2 tmtt? -124.84 83.73 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -46.51 174.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 166.49 29.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.48 -161.86 8.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.03 8.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.2 p-80 -113.74 -53.04 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.55 124.56 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.256 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.72 23.78 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.2 mt-30 -125.34 161.25 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -82.68 161.48 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' OE2' ' CD1' ' A' ' 41' ' ' ILE . 1.9 tt0 -149.06 106.13 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 28' ' ' VAL . 72.0 t -102.28 115.91 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.435 ' CD1' ' OE2' ' A' ' 39' ' ' GLU . 3.6 mp -119.42 118.37 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.81 143.45 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m -92.73 144.24 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -90.33 150.8 21.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -74.87 -3.37 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.51 -8.46 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.93 32.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.08 -172.59 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -145.54 144.79 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.62 112.11 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -70.63 139.46 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 108.337 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 23.9 mt -111.01 165.19 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -95.85 111.22 55.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.84 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -166.83 30.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -123.03 149.23 56.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.45 18.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 20.3 tpp -96.29 -33.55 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 52' ' ' LEU . 3.3 t -65.55 -18.24 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 6.2 mmmm -95.13 3.26 54.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.1 mttm -118.92 -12.13 9.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' CG2' HD12 ' A' ' 20' ' ' LEU . 14.0 mt -94.45 -16.34 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 26' ' ' VAL . 15.5 mt -95.9 -56.74 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 71.6 mt-10 -51.6 -28.94 15.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -84.04 -32.17 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.498 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 2.4 mmm -63.49 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 67' ' ' LEU . 8.7 mp -71.12 -14.97 62.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -104.6 -23.74 13.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LYS . 26.3 t-20 61.71 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.34 158.7 15.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -4.48 58.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 134.0 24.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.85 -18.23 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.97 169.36 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -150.26 165.61 32.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.513 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 4.0 mt -99.21 159.89 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -89.79 -14.03 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.53 99.5 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 9.7 mt -99.47 163.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.49 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -57.09 133.82 55.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.485 HD13 ' CG2' ' B' ' 23' ' ' ILE . 10.2 tp -79.86 1.75 25.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -69.69 -9.51 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.442 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 10.7 m-80 -112.2 -43.65 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.485 ' CG2' HD13 ' B' ' 20' ' ' LEU . 3.6 mt -52.36 133.36 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -25.47 8.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.18 164.83 34.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' B' ' 63' ' ' ILE . 42.4 t -126.83 143.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 19.5 tptt -132.15 120.71 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -114.67 116.21 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.25 97.65 5.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -56.85 176.46 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -74.99 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.54 -161.88 11.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.05 1.45 7.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -114.53 -49.57 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -114.63 118.1 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.295 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.41 24.17 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -129.43 159.22 36.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -81.28 158.69 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -140.87 81.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.4 126.35 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 mm -126.64 156.68 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.58 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -85.33 141.33 30.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -89.56 150.42 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -73.89 -4.99 38.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.456 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.36 -8.18 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.61 -8.83 34.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -83.11 -173.28 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -145.5 144.49 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.513 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -131.13 111.73 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' B' ' 15' ' ' LEU . 1.3 m -68.79 139.37 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 19.9 mt -112.04 156.62 21.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -90.93 120.28 68.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.471 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.5 Cg_endo -74.96 1.06 8.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.9 10.6 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t -107.91 143.01 26.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -35.52 3.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -28.11 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' B' ' 52' ' ' LEU . 2.8 t -69.47 -14.48 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.3 OUTLIER -97.54 3.53 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 22.6 mttt -117.63 -15.52 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.427 HG21 ' CD1' ' B' ' 20' ' ' LEU . 16.7 mt -92.45 -16.45 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' B' ' 26' ' ' VAL . 46.3 mt -95.52 -54.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 58.2 mt-10 -58.03 -34.29 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.461 ' CD ' HD21 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.7 -29.28 62.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.474 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 2.0 mmm -66.27 -39.64 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 28' ' ' VAL . 8.6 mp -69.88 -15.9 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -102.64 -27.04 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 21.5 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -90.65 148.38 22.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -5.41 50.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 127.16 16.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mt -92.44 -20.15 21.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.505 ' O ' ' CG2' ' A' ' 14' ' ' THR . 1.6 tp60 -129.11 170.45 13.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 10.1 p -158.83 165.65 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 51' ' ' CYS . 18.1 mt -99.07 175.83 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 4.0 tm0? -108.73 -15.37 14.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.12 102.23 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 2.0 mm -101.73 158.13 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -51.34 138.97 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 10.2 tp -85.1 7.95 19.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -85.48 -22.63 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 7.1 m-80 -96.07 -39.86 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mt -56.93 132.85 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -25.05 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 162.16 29.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.436 ' CG2' ' SD ' ' A' ' 66' ' ' MET . 48.3 t -124.38 135.81 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 25' ' ' SER . 11.2 tptm -125.09 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' B' ' 67' ' ' LEU . 18.2 t -109.75 116.62 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.48 82.03 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -42.43 162.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.54 -157.61 8.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -114.1 -56.1 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 43.0 t -103.68 117.59 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 24.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 3.9 mp0 -134.36 153.55 51.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.481 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 4.1 m -73.32 156.73 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -134.93 81.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -77.37 123.72 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mt -126.89 111.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.26 131.4 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -85.15 149.96 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.92 -5.26 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.48 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.73 -9.49 34.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.8 mt-30 -82.96 -176.52 6.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -142.64 144.06 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -134.55 109.65 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.75 138.11 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.7 mt -112.74 154.45 26.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -89.38 115.93 65.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.79 5.94 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -106.28 145.43 30.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -32.12 5.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.14 -19.2 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 21.0 t -84.24 -3.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.01 3.86 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -15.66 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 58' ' ' MET . 15.9 mt -92.91 -16.65 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 66' ' ' MET . 18.0 mt -94.85 -56.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.94 -25.09 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -89.1 -29.61 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.95 -38.05 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 67' ' ' LEU . 5.8 mp -68.61 -14.23 62.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -105.13 -32.68 8.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.1 t30 61.33 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.0 m -104.08 146.21 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -2.95 28.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 129.46 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.95 -15.23 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.86 169.42 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -154.7 165.38 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 51' ' ' CYS . 6.9 mt -94.0 173.35 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 2.4 tm0? -111.72 -14.75 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.88 98.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.9 mm -103.61 161.13 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . 0.46 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -56.27 131.11 47.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 1.5 tm? -87.84 15.48 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -95.21 -24.67 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.432 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 2.5 m-20 -91.41 -32.91 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.466 ' CG2' HD23 ' B' ' 20' ' ' LEU . 0.9 OUTLIER -56.71 135.6 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -25.3 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.73 162.82 39.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' B' ' 63' ' ' ILE . 24.2 t -125.22 130.2 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.0 tptp -123.86 122.06 37.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.0 t -115.7 124.95 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 90.0 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.7 OUTLIER -50.71 -179.76 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.3 Cg_endo -74.98 -175.13 2.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.49 -157.53 9.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PRO . . . . . 0.649 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.99 1.49 7.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -120.1 -60.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.8 OUTLIER -97.54 116.78 30.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.261 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.22 24.65 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 31' ' ' PRO . 48.1 mm-40 -118.14 -129.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -151.97 160.81 43.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 38' ' ' THR . 1.9 tp10 -141.94 102.2 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 74.5 t -104.23 116.08 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 mp -125.67 126.25 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.2 135.82 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.5 m -84.5 141.09 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -89.38 150.35 22.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.5 OUTLIER -73.68 -4.78 36.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.38 -8.93 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.14 -7.86 32.97 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.452 1.095 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -84.36 -172.81 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -146.47 145.0 30.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.458 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -130.49 110.09 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -69.58 137.03 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.2 mt -110.84 164.19 13.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -103.33 116.6 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.472 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.28 11.71 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 21.3 t -116.61 144.23 32.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.13 10.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.431 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.4 OUTLIER -75.41 -22.05 57.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.06 -11.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.61 3.57 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -117.6 -15.55 10.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' B' ' 58' ' ' MET . 16.1 mt -90.71 -17.91 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ILE . . . . . 0.44 HG12 ' CG1' ' B' ' 26' ' ' VAL . 16.2 mt -92.55 -57.8 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.78 -36.33 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -69.87 -38.51 76.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' B' ' 20' ' ' LEU . 1.7 mmm -56.04 -41.33 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' A' ' 28' ' ' VAL . 6.6 mp -66.07 -15.81 63.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -101.4 -23.75 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -115.06 85.01 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.77 167.36 9.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -135.42 -144.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 m -93.86 152.19 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.43 7.31 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.1 115.03 19.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 108.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.36 -25.86 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG2' ' A' ' 14' ' ' THR . 4.8 tt0 -134.83 178.35 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 10.0 p -158.56 159.73 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 1.8 mt -122.05 134.71 54.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 1.5 tt0 -102.55 68.33 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.49 104.69 2.9 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 4.9 mm -131.52 159.79 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.9 135.17 49.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.644 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 4.9 tp -85.11 8.77 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -90.74 -24.04 20.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.31 -40.75 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.49 127.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.65 -19.14 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.06 156.63 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 25.6 t -128.56 133.05 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.58 123.68 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' B' ' 67' ' ' LEU . 25.6 t -116.15 117.27 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 91.42 3.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.466 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -48.29 173.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.39 -160.36 8.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -111.54 -52.97 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.639 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.59 124.7 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.12 24.17 3.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.31 157.81 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 17.1 m -82.47 161.87 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -146.61 79.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.6 t -72.79 122.08 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.2 mt -122.61 116.94 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.72 140.06 41.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -88.21 140.43 29.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.45 153.28 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -77.05 -0.6 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.83 -8.13 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.08 -4.97 33.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -88.39 -172.25 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -144.68 145.4 31.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -132.08 111.66 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' LEU . 7.1 m -70.35 137.36 50.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.7 mt -105.08 164.04 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -97.85 110.19 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 48.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.49 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 t -126.09 147.31 58.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -93.5 -25.49 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.74 -15.4 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 4.14 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -116.86 -15.35 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -16.87 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.9 mt -93.77 -55.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -52.7 -36.27 56.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 2.9 mtmt -70.62 -38.87 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' B' ' 30' ' ' SER . 1.6 mmm -55.64 -38.06 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' B' ' 28' ' ' VAL . 8.1 mp -67.47 -16.5 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.4 mptt -100.68 -28.81 12.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 20.3 t30 62.03 -78.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.5 -104.62 3.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -70.84 -172.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.57 88.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -113.08 83.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.98 166.55 10.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -134.4 -145.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.6 m -91.46 156.4 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -5.21 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 126.91 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 -21.59 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.58 169.35 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -149.57 165.68 31.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.496 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 20.1 mt -97.55 161.25 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 9.2 tt0 -93.33 -12.26 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.96 98.0 0.49 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.4 mt -100.21 163.19 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.492 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -51.66 135.13 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 34.8 tp -84.01 7.24 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -81.28 -19.25 43.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.46 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 6.0 m-20 -97.74 -40.94 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.472 ' CG2' HD13 ' B' ' 20' ' ' LEU . 2.7 mt -57.77 128.81 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -20.23 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.36 154.5 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' B' ' 63' ' ' ILE . 37.3 t -128.9 132.0 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.76 126.82 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 67' ' ' LEU . 2.2 t -113.29 124.73 70.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -123.83 86.13 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -46.71 173.51 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -74.99 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.06 -157.59 8.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.99 0.85 8.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.9 p-80 -116.59 -58.19 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 44.1 t -101.71 114.53 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' B' ' 37' ' ' GLN . . . -91.54 24.4 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' B' ' 36' ' ' ALA . 36.9 mm-40 -134.18 155.53 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.2 m -82.3 156.3 24.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.86 96.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.25 127.61 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -125.38 116.83 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.65 145.16 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -93.95 131.99 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -78.69 150.5 32.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -3.83 33.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.2 -8.75 24.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.96 -6.92 32.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -86.37 -172.55 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -144.24 144.54 31.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.496 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -136.33 114.94 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.17 143.05 43.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.56 165.7 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.508 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 58.3 t30 -97.67 118.03 64.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.472 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.92 1.77 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.67 21.84 15.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.513 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 6.0 t -119.4 140.43 29.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.06 20.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.443 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -90.6 -13.6 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.6 t -81.3 -17.39 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -93.74 3.41 55.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -16.18 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' B' ' 58' ' ' MET . 17.7 mt -90.28 -16.93 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' B' ' 26' ' ' VAL . 16.5 mt -93.23 -58.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -50.35 -33.87 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.9 OUTLIER -73.95 -37.63 64.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 2.1 mmm -59.96 -42.69 94.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.479 ' CD1' HG12 ' A' ' 28' ' ' VAL . 10.1 mp -67.14 -15.6 63.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 70' ' ' GLY . 25.4 mtpt -101.78 -26.6 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 65' ' ' LYS . 8.2 t-20 61.67 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -152.95 137.97 6.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.47 -59.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 90.2 p -170.65 88.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -113.26 84.84 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -105.57 161.92 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -135.11 -145.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -91.98 147.71 22.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -5.32 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 134.67 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.25 -14.98 16.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -135.3 166.81 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -151.96 164.64 36.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.6 mt -94.86 -179.6 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -113.82 -16.12 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.02 100.39 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 7.1 mm -96.29 161.86 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.37 138.81 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 65' ' ' LYS . 11.9 tp -77.19 -0.63 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -85.52 -12.79 50.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' CB ' HD22 ' A' ' 44' ' ' LEU . 1.6 m-20 -104.57 -46.22 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -59.52 132.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 -14.97 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.48 161.72 30.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' A' ' 63' ' ' ILE . 75.3 t -128.4 142.99 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' HG11 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -140.07 126.59 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.477 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 61.5 t -115.91 100.7 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.1 82.76 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -45.44 170.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -74.95 178.42 7.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.13 -157.69 8.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -117.53 -56.57 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.0 t -103.11 116.93 33.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.79 24.28 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 26.1 mm-40 -137.21 152.4 49.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m -78.46 165.15 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -155.9 83.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.1 t -68.08 128.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mt -128.99 108.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.71 141.21 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -88.42 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.39 149.7 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.92 -3.29 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.01 -9.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.5 -8.84 30.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -85.25 -170.85 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -145.1 145.18 31.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -133.58 111.81 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -71.87 139.12 48.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 mt -112.53 160.44 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.06 118.73 66.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.46 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.45 14.48 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 t -114.99 145.41 33.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -41.43 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -24.05 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 17.0 t -76.3 -2.67 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.29 3.11 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -16.23 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -90.35 -16.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 26' ' ' VAL . 17.2 mt -93.53 -57.31 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -53.04 -33.21 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 11.6 mttp -73.99 -35.88 64.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' B' ' 30' ' ' SER . 1.5 mmm -58.01 -37.39 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.491 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.8 mp -70.06 -15.38 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.77 -28.65 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.7 t-20 61.6 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 136.07 -114.68 1.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -73.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.3 p -170.13 68.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.243 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -114.75 84.61 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.5 mp -106.01 169.2 8.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -136.06 -144.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 46.1 m -98.11 169.85 9.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -101.82 -5.29 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.66 135.83 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -15.98 17.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.43 169.07 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.63 165.41 35.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.481 ' CD1' ' CG1' ' B' ' 18' ' ' ILE . 95.7 mt -103.65 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.6 -13.03 52.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.09 99.74 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.481 ' CG1' ' CD1' ' B' ' 15' ' ' LEU . 4.7 mm -78.74 154.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' HG21 ' B' ' 18' ' ' ILE . 0.3 OUTLIER -48.8 138.56 10.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 47.4 tp -83.01 5.69 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -23.1 20.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -94.1 -49.32 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -47.11 128.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.71 -25.03 9.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.474 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.5 OUTLIER -147.13 159.81 43.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.472 ' CG1' HG12 ' B' ' 63' ' ' ILE . 25.6 t -127.42 133.44 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 17.9 tptp -126.79 120.7 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 67' ' ' LEU . 22.3 t -113.77 118.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.69 90.94 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.47 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.6 OUTLIER -56.01 171.13 0.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.98 170.8 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.84 -160.72 8.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.598 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.57 7.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.598 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.14 -53.37 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.32 123.12 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.38 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 22.0 mm-40 -126.09 153.1 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.482 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -81.34 158.42 24.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.56 81.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.88 124.48 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 mm -126.41 152.93 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.69 129.63 21.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.474 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.8 m -81.62 139.48 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.92 149.97 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.1 OUTLIER -73.62 -4.97 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.471 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.2 -8.34 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.36 -5.91 35.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.1 -172.9 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 145.03 31.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' B' ' 15' ' ' LEU . . . -131.53 111.84 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.2 m -69.18 136.62 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 23.5 mt -110.85 158.83 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -93.08 120.07 67.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.482 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.16 15.01 26.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.0 t -114.53 144.49 31.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' B' ' 62' ' ' ILE . 32.9 tpp -59.06 -26.73 64.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.02 -16.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 3.9 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -116.62 -15.98 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' B' ' 58' ' ' MET . 15.3 mt -93.31 -16.57 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.472 HG12 ' CG1' ' B' ' 26' ' ' VAL . 17.0 mt -93.68 -55.57 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -53.12 -35.8 60.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 69' ' ' ASN . 10.5 mmtt -71.11 -36.78 72.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.477 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 1.5 mmm -59.8 -38.94 83.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 mp -69.44 -15.6 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.7 OUTLIER -103.33 -23.64 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.6 t30 61.94 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 125.33 171.21 13.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -82.65 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 36.1 p -176.1 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.07 85.3 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.75 168.12 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -135.81 -143.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.6 m -96.8 161.48 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.44 -3.03 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 133.05 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.53 -15.5 18.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.69 169.85 16.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -153.74 165.17 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 18' ' ' ILE . 4.0 mt -104.09 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -97.03 -14.74 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.52 102.63 0.96 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 3.9 mp -95.29 163.89 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -43.97 136.95 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.605 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.71 12.57 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -89.97 -22.19 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 5.3 m-20 -94.67 -39.84 10.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' HD23 ' A' ' 20' ' ' LEU . 1.9 mt -55.42 133.95 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -23.56 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.47 161.32 35.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' A' ' 63' ' ' ILE . 41.0 t -131.45 136.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -129.54 126.6 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 53.8 t -114.67 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 86.2 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -47.32 171.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.02 171.92 17.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 -161.75 9.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.49 7.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.602 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -112.82 -51.37 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.647 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 126.13 54.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.25 23.98 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 34.3 mm-40 -130.18 156.26 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.462 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.7 m -83.26 162.52 21.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -144.96 79.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 52' ' ' LEU . 55.4 t -73.27 114.64 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.18 117.23 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.26 143.7 36.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -91.87 139.77 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -87.54 150.51 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -3.95 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.8 -7.69 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.94 -5.2 36.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -87.36 -172.7 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -145.66 145.58 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -134.79 113.52 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.22 138.54 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 27.9 mt -109.57 165.46 11.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -92.27 112.29 54.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 48.17 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.93 32.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.8 151.99 58.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.15 10.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.493 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -82.88 -17.93 42.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.38 -9.77 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -101.99 2.62 38.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 -14.93 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' MET . 12.5 mt -90.69 -17.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' A' ' 26' ' ' VAL . 15.9 mt -93.85 -57.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -53.21 -29.98 35.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -34.85 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.475 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 2.5 mmm -62.0 -35.28 78.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 67' ' ' LEU . 9.0 mp -71.41 -16.01 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -102.94 -31.28 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.2 t30 61.75 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 126.15 -125.69 5.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 72' ' ' SER . 4.3 mtpt -94.01 -86.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER 79.94 108.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.403 ' N ' HD13 ' B' ' 7' ' ' LEU . 33.7 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -85.29 56.63 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 1.1 mp -105.02 167.9 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -135.36 -143.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.1 m -100.38 151.33 21.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -3.73 49.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 131.74 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -93.94 -17.76 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.22 170.81 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -154.7 165.12 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.565 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 3.8 mt -97.87 176.61 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -110.77 -13.37 14.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.27 96.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.1 mm -91.74 162.36 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.48 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -58.63 137.41 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 48.2 tp -86.59 10.58 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -92.82 -13.03 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -103.87 -49.1 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.422 HG12 ' CB ' ' B' ' 42' ' ' ALA . 0.8 OUTLIER -45.97 129.25 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -25.05 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.475 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -147.49 163.05 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' B' ' 66' ' ' MET . 25.2 t -131.82 132.46 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.9 tptp -125.51 120.5 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -111.6 115.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -116.2 87.4 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.475 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.2 p -48.84 167.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.77 -160.78 9.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.595 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.595 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.11 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.07 48.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.41 24.5 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.414 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.5 mm-40 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 28.7 m -75.72 163.56 27.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 83.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.27 122.17 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.6 mt -125.22 111.7 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.422 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -100.48 130.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.9 m -81.95 144.26 31.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.17 149.94 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.497 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -73.51 -4.8 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.488 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.96 -10.3 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.02 -12.44 29.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 30.2 mt-30 -82.86 -175.18 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -143.61 145.83 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.565 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -131.92 110.04 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -67.63 138.28 56.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.1 mt -110.65 165.29 11.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -100.52 116.72 64.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.08 1.02 8.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.21 4.56 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -109.82 147.84 36.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.05 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.407 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.59 -20.55 48.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' B' ' 59' ' ' VAL . 35.3 t -82.84 -3.51 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -107.38 3.55 25.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -15.68 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.407 ' CD1' ' O ' ' B' ' 58' ' ' MET . 15.3 mt -92.47 -16.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 44.0 mt -93.63 -55.68 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.06 -35.47 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.6 OUTLIER -70.8 -35.82 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 1.4 tmm? -57.91 -38.14 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.469 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 7.6 mp -69.51 -15.23 63.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 1.9 ttmt -103.64 -26.63 12.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 9.4 t-20 62.41 -77.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -130.88 137.63 9.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' SER . 6.6 mttt -68.98 -173.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LYS . 0.1 OUTLIER 80.83 -53.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.97 77.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.3 mp -105.0 162.25 13.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -135.7 -143.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.6 m -94.65 154.5 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 5.74 50.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.74 114.46 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.08 -25.82 23.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.507 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -135.42 178.46 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 10.4 p -158.66 160.32 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.602 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -117.96 139.9 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 1.7 tt0 -98.97 66.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 98.71 1.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mm -118.79 155.05 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.06 132.93 55.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 65' ' ' LYS . 8.9 tp -86.82 13.35 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -89.88 -17.44 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 6.5 m-20 -98.77 -39.97 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 HG12 ' CB ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -57.55 129.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -25.1 8.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.479 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.96 164.87 29.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 29.5 t -131.47 134.98 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' B' ' 27' ' ' LYS . 8.6 tptt -131.47 120.99 23.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' B' ' 67' ' ' LEU . 2.4 t -113.11 121.65 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -124.07 87.05 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -48.17 176.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -74.96 174.83 12.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.49 -162.87 10.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -112.71 -49.63 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 120.4 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.03 24.07 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 18.6 mm-40 -126.12 160.34 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 32.6 m -76.49 161.88 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -144.76 78.12 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.58 124.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.3 mt -128.11 119.32 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -108.72 132.68 53.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.479 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 17.1 m -82.89 145.52 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -93.84 150.75 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.98 -4.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.9 -9.14 24.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.88 -11.81 32.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -82.48 -172.93 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -144.64 145.29 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.602 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -131.43 110.59 11.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 13' ' ' GLN . 7.4 m -67.61 140.25 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.8 mt -104.27 165.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -98.79 109.05 52.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 45.84 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.97 25.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 44.0 t -128.78 145.12 55.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.511 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 4.5 tpp -101.71 -16.16 16.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 t -80.23 -20.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.7 3.79 54.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.22 -16.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 58' ' ' MET . 20.2 mt -91.32 -17.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.8 mt -92.5 -58.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -48.49 -35.95 14.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.2 mmtt -71.93 -38.08 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.487 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 1.1 mmm -57.57 -39.71 77.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' HG13 ' B' ' 28' ' ' VAL . 6.5 mp -68.08 -15.58 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.29 -30.32 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t-20 61.73 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 150.19 -122.69 1.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -60.25 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -56.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.7 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.98 55.15 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.0 mp -104.71 167.79 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -135.69 -142.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 64.3 m -101.73 145.88 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -2.27 47.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 137.0 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.06 -15.13 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -135.16 168.17 19.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.4 p -152.5 163.94 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' B' ' 50' ' ' ALA . 10.2 mt -95.19 -177.44 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -112.6 -13.71 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.63 101.38 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.5 mm -97.56 159.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.749 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' HD3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -61.88 145.82 51.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 12.1 tp -85.48 7.61 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.481 ' HD3' ' CG ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -88.84 -20.93 24.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.2 -49.59 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.452 HG23 ' CG ' ' B' ' 66' ' ' MET . 1.5 mt -55.45 128.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -18.06 11.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.77 158.9 42.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' B' ' 63' ' ' ILE . 26.0 t -129.25 133.07 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.19 125.62 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.514 HG13 ' CD1' ' A' ' 67' ' ' LEU . 45.8 t -118.51 104.44 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.06 87.31 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -52.74 169.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.481 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -75.01 168.5 24.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.55 -156.9 7.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 2.89 6.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.2 p-80 -113.23 -53.94 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 128.19 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.346 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' B' ' 37' ' ' GLN . . . -97.35 23.13 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.481 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 2.9 mt-30 -131.33 158.3 41.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -89.75 162.35 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -155.09 95.56 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 93.2 t -82.07 123.0 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.39 107.44 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.18 138.57 36.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -86.46 135.71 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.04 150.46 26.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -3.5 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.455 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.08 -8.28 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.12 -9.87 33.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.07 -172.56 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -144.21 144.72 31.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' B' ' 15' ' ' LEU . . . -135.82 114.15 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -74.86 138.93 42.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 mt -111.81 161.26 16.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -95.88 118.56 65.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.4 8.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.02 1.65 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.424 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 15.0 t -99.58 143.41 26.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -29.79 7.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -20.68 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' B' ' 56' ' ' SER . 40.4 t -78.92 -5.13 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 3.19 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -15.9 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 16.4 mt -91.71 -16.47 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' B' ' 26' ' ' VAL . 19.1 mt -93.97 -54.64 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.32 -34.05 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.472 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 9.8 mmtp -72.9 -33.71 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.452 ' CG ' HG23 ' B' ' 23' ' ' ILE . 1.0 OUTLIER -59.18 -37.67 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.481 ' CD1' HG12 ' A' ' 28' ' ' VAL . 8.4 mp -69.06 -15.37 63.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -103.45 -29.99 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 25.0 t-20 61.86 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -48.27 169.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -106.11 -68.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.85 103.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -114.51 84.81 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.74 166.67 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -136.55 -144.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.1 m -97.1 169.26 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.335 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -1.86 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 119.82 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.59 -14.89 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.503 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.1 OUTLIER -127.8 173.32 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 p -158.45 165.72 33.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.57 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 13.3 mt -104.89 -178.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -90.39 -13.16 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 148.24 -31.97 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 16.1 mm 55.6 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -72.3 141.25 48.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 7.8 tp -81.28 -0.33 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 29.4 mtpt -86.95 -8.44 57.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -108.33 -38.86 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.7 132.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.49 -25.11 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.427 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -148.03 157.05 43.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 63' ' ' ILE . 39.5 t -127.59 136.11 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -132.45 125.64 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG ' ' B' ' 67' ' ' LEU . 0.5 OUTLIER -113.65 125.5 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 87.68 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.445 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -53.97 174.84 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.99 176.58 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.34 -160.93 9.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.25 7.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.47 -49.28 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 124.32 51.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.58 24.68 6.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 8.7 mm-40 -128.4 162.16 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.6 m -90.35 172.78 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 8.0 pt-20 -168.91 113.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.82 127.73 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.36 108.91 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.64 137.65 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 19.4 m -86.37 135.9 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 149.46 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.31 -2.68 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.46 -8.63 22.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.43 -1.17 34.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -91.62 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.733 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -144.08 144.93 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.57 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -140.08 117.43 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.74 146.06 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 mt -112.19 163.79 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 61.5 t30 -92.37 117.1 67.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.37 11.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.57 17.21 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 11.1 t -119.25 140.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.2 8.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -20.34 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 53' ' ' ASN . 2.1 t -70.45 -18.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.13 3.97 54.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -114.34 -16.61 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.509 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 13.4 mt -94.64 -16.67 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 HG12 ' CG1' ' A' ' 26' ' ' VAL . 27.1 mt -93.85 -55.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.33 -36.12 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.9 mttm -73.17 -32.7 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.469 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.62 -38.31 87.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 67' ' ' LEU . 8.5 mp -69.1 -15.63 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -102.75 -30.36 10.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 61.62 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 60.36 103.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.59 -68.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 71.36 77.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -111.61 83.68 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.69 168.18 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -135.47 -145.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 55.5 m -93.55 146.91 23.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -5.1 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 136.6 26.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -104.15 -15.99 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.504 ' O ' ' CG2' ' B' ' 14' ' ' THR . 1.0 OUTLIER -134.62 172.57 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.9 165.91 34.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.54 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 9.7 mt -105.11 174.73 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -86.48 -11.98 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' B' ' 62' ' ' ILE . . . 147.1 -40.46 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 3.7 mt 55.45 164.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.508 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -60.99 150.44 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 2.3 tm? -98.18 9.21 43.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -87.48 -21.28 25.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.42 -36.24 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.43 ' CG2' HD23 ' B' ' 20' ' ' LEU . 2.3 mt -59.12 132.96 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.65 -25.28 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.43 164.07 38.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.95 131.73 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.445 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 11.0 tptm -123.72 118.92 28.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 70.5 t -110.22 121.5 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.4 OUTLIER -120.79 81.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.438 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -43.63 167.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -75.03 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.811 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.86 -158.32 7.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.592 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 1.51 7.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.592 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -112.45 -53.0 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 53.3 t -112.63 119.36 37.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 24.05 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.433 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.5 mp0 -129.77 153.7 47.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 6.2 m -77.78 157.37 30.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.68 87.63 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.08 126.2 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.7 mp -124.94 111.98 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.34 129.42 45.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -80.32 145.05 32.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.62 150.63 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -4.42 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.447 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.34 -9.43 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.84 -12.73 29.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -81.13 -173.7 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -146.23 145.06 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.54 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -135.07 112.24 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -66.39 140.31 58.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -111.34 164.24 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -97.97 116.75 65.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.469 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.05 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.4 t -110.6 143.6 28.51 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.84 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -80.81 -19.82 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 43.3 t -82.08 -4.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -107.75 3.61 24.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -14.88 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' B' ' 58' ' ' MET . 15.4 mt -92.81 -16.48 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 17.2 mt -94.87 -54.82 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -54.04 -35.09 61.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.11 -36.27 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 30' ' ' SER . 0.8 OUTLIER -56.34 -37.38 69.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 28' ' ' VAL . 8.1 mp -68.7 -15.64 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 70' ' ' GLY . 2.2 mtmt -102.45 -29.16 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.8 t30 61.53 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -88.51 145.24 18.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -170.96 2.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.28 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -113.86 84.4 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.77 168.55 8.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -136.03 -144.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -97.98 164.6 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -4.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 129.77 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.37 -15.87 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.35 168.44 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -153.95 165.53 35.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 53.7 mt -96.31 -179.27 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.52 -14.3 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.91 100.53 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 7.5 mt -99.94 163.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.2 t-160 -53.73 136.17 40.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 44.4 tp -84.19 9.28 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.57 -15.3 49.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 6.9 m-80 -102.59 -42.47 5.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CG2' HD13 ' A' ' 20' ' ' LEU . 2.0 mt -54.06 130.94 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -24.99 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.01 164.9 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.2 t -130.47 134.81 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 10.2 tptm -127.98 119.92 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' B' ' 67' ' ' LEU . 68.9 t -111.73 113.72 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 82.12 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.95 172.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 165.79 30.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.23 -160.8 8.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.56 -53.03 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.19 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.56 24.08 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.436 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -128.41 157.28 41.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 57.9 m -80.27 165.46 22.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -153.8 83.08 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.3 t -79.48 126.12 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.46 115.17 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.09 135.0 43.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -86.36 139.18 31.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -86.46 150.24 24.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -4.78 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.73 -8.59 25.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.93 -11.85 32.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -81.75 -173.91 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -146.77 145.0 29.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -130.51 110.04 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -68.1 136.62 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.6 mt -111.56 166.03 11.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.02 121.22 52.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 0.51 8.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.49 11.82 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 35.9 t -108.95 146.74 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 39.1 t -71.87 -8.35 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 3.29 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -118.58 -15.77 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 mt -92.18 -16.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.406 ' O ' HD11 ' A' ' 67' ' ' LEU . 15.6 mt -93.7 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.37 -35.48 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ASN . 2.6 mtpm? -71.24 -35.22 71.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.475 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -56.7 -41.04 76.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' B' ' 28' ' ' VAL . 8.7 mp -66.35 -15.5 63.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.18 -32.47 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LYS . 19.8 t-20 61.4 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 135.01 -115.62 1.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.75 -69.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.7 p -59.4 -65.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.15 84.17 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.679 ' CD2' ' CG ' ' B' ' 34' ' ' HIS . 0.0 OUTLIER -106.82 177.5 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.67 -143.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.65 167.52 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -2.91 34.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.58 139.37 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.54 -13.86 14.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -132.61 166.15 22.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -151.95 165.06 35.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' B' ' 50' ' ' ALA . 4.5 mt -110.17 169.26 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -84.68 -14.7 47.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.59 103.92 0.84 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.3 mt -80.73 157.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.401 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.4 OUTLIER -52.57 149.4 5.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 15.2 tp -87.1 10.92 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.423 ' CE ' ' O ' ' B' ' 21' ' ' LYS . 0.1 OUTLIER -91.28 -18.74 23.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -102.05 -49.97 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.436 HG12 ' CB ' ' B' ' 42' ' ' ALA . 1.3 mt -48.35 131.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 -25.14 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.444 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.9 OUTLIER -155.05 164.73 38.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.98 130.27 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 41' ' ' ILE . 13.6 tptt -121.26 120.28 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 66' ' ' MET . 55.5 t -109.66 119.75 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 30' ' ' SER . 5.5 tmtt? -118.69 78.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.442 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -46.46 172.37 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.431 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.04 170.18 20.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.93 -158.01 7.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.679 ' CG ' ' CD2' ' B' ' 7' ' ' LEU . 1.1 p-80 -113.52 -56.86 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 123.09 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 108.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.86 24.59 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 26.7 mm-40 -131.0 160.04 35.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 84.9 m -86.38 169.46 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.98 86.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.72 137.14 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.9 mp -130.09 108.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.436 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -94.1 128.33 40.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -79.59 141.56 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.51 150.91 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -4.69 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.448 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.51 -8.95 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.66 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 65.1 mt-30 -84.48 -175.17 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.3 mptt -143.45 144.96 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' B' ' 15' ' ' LEU . . . -130.45 109.72 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.93 137.28 57.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 21.6 mt -110.59 164.58 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -96.06 119.13 65.11 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.74 12.99 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 29.6 t -110.87 143.86 29.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.83 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -26.2 68.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.67 -17.35 21.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -96.84 3.67 52.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -116.4 -15.55 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 mt -94.84 -16.46 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 15.7 mt -94.86 -53.65 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 44.0 mt-10 -55.91 -34.04 65.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.4 OUTLIER -76.85 -30.47 56.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.7 mmm -60.82 -36.32 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 28' ' ' VAL . 9.3 mp -70.32 -15.29 62.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 9.4 mttt -103.67 -32.44 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' LYS . 18.2 t-20 61.35 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -164.47 -164.09 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -53.62 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.2 t -179.62 76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.83 75.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.9 mp -109.08 163.34 13.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 7' ' ' LEU . 1.6 mtp85 -135.05 -143.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.6 161.95 13.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.353 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.61 -1.63 58.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 133.9 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.92 -16.62 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -131.59 169.31 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 p -153.94 164.85 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' CYS . 13.1 mt -95.06 177.37 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -112.69 -12.85 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.37 99.19 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 4.7 mm -98.95 157.46 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -57.59 139.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.0 tp -86.99 12.29 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -91.64 -20.55 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 5.4 m-20 -97.23 -42.54 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -55.19 129.97 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.6 -22.11 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.465 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -153.05 163.61 39.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 24.5 t -127.93 133.34 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -123.22 123.84 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' B' ' 67' ' ' LEU . 2.8 t -116.17 119.53 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 89.42 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.486 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -52.89 171.6 0.22 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.1 Cg_endo -75.08 162.0 37.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.44 8.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.62 7.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -116.03 -54.73 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.43 123.25 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.32 24.4 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 22.8 mt-30 -130.62 158.94 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.441 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 6.2 m -81.21 158.14 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -145.26 95.66 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -90.05 126.21 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 1.6 mp -127.9 109.44 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.74 136.42 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.7 m -86.62 142.53 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -90.86 150.41 21.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.472 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -73.75 -4.25 33.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.65 -8.91 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.93 -8.44 33.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -84.57 -173.05 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -145.78 144.94 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -131.06 110.88 11.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.75 138.26 52.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 108.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 mt -112.52 165.63 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -100.52 118.98 59.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.03 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.06 1.35 42.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.5 t -101.31 145.45 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.86 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -26.93 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.4 t -70.43 -12.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.3 mmmm -98.93 4.04 47.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -116.49 -16.0 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mt -93.86 -16.52 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.6 mt -93.54 -54.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 56.1 mt-10 -54.7 -35.89 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -71.28 -35.51 71.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 2.4 mmm -59.38 -37.88 79.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 67' ' ' LEU . 8.5 mp -69.13 -15.29 63.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.79 -33.78 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' LYS . 11.8 t30 61.91 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 112.99 -119.99 5.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -140.02 -62.88 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -176.81 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -110.91 56.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.45 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.2 mp -107.74 169.73 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' B' ' 8' ' ' ARG . 1.6 mtp-105 -135.32 -145.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 60.7 m -98.73 142.15 30.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.84 5.87 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.85 114.63 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -89.96 -25.5 20.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.492 ' O ' ' CG2' ' B' ' 14' ' ' THR . 2.9 tm0? -135.4 177.31 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.51 159.59 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' B' ' 51' ' ' CYS . 7.4 mt -123.05 152.83 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 2.8 tm0? -70.02 -15.26 62.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.19 104.63 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.7 mt -93.96 163.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.8 OUTLIER -54.91 126.59 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -55.86 -18.57 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -23.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' B' ' 20' ' ' LEU . 13.4 m-80 -99.81 -48.23 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.03 129.49 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -17.99 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.461 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -157.15 154.88 30.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' B' ' 66' ' ' MET . 50.7 t -127.39 136.4 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.29 124.91 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 26' ' ' VAL . 2.4 t -104.81 124.23 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.51 83.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -49.14 170.61 0.13 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.426 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 166.29 29.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.97 -159.75 8.03 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.597 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.57 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.597 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.71 -56.03 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 0.1 OUTLIER -108.39 124.31 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.8 24.12 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.426 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.6 mm-40 -126.78 162.32 26.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' B' ' 39' ' ' GLU . 23.8 m -80.37 162.7 24.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' B' ' 38' ' ' THR . 2.4 mp0 -148.85 92.75 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -90.25 117.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.16 112.74 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.67 137.47 39.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -88.14 140.55 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.29 150.18 22.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -73.7 -5.02 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.37 -8.3 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.02 -8.28 36.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -84.66 -173.37 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -144.69 144.76 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.426 ' HB2' ' CD1' ' B' ' 15' ' ' LEU . . . -133.26 113.16 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 13' ' ' GLN . 7.7 m -68.72 138.09 54.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 mt -106.08 162.77 13.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -93.12 111.92 53.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 48.13 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.34 31.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -122.4 148.47 52.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.4 18.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 tpp -90.26 -25.96 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.53 -16.2 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -95.54 3.78 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -117.9 -16.69 9.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.81 -16.66 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.462 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.9 mt -94.02 -57.15 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.91 -33.38 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -26.49 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.8 mmm -69.48 -37.59 77.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' A' ' 28' ' ' VAL . 8.8 mp -72.03 -15.64 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.64 -31.31 9.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 65' ' ' LYS . 16.0 t30 61.49 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -93.92 -167.55 37.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -55.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.8 m 41.55 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.17 83.16 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.7 mp -106.51 162.14 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -135.98 -144.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.5 m -98.62 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.22 -3.51 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 134.79 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.11 -16.26 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' CG2' ' A' ' 14' ' ' THR . 4.9 tt0 -134.65 170.56 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 11.1 p -154.77 165.14 37.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' CYS . 11.0 mt -99.06 176.03 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -100.12 -12.9 19.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.13 97.47 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 13.9 mt -96.05 162.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.476 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -49.17 138.26 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD21 ' CD ' ' A' ' 65' ' ' LYS . 24.7 tp -74.54 -2.75 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -72.59 -7.14 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.444 ' CB ' HD22 ' A' ' 44' ' ' LEU . 5.4 m-80 -112.37 -31.68 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 20' ' ' LEU . 3.0 mt -76.42 129.96 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.94 -22.7 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.9 160.67 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' ' HE1' ' A' ' 66' ' ' MET . 79.4 t -134.62 142.4 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -144.29 124.79 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG13 ' CD1' ' B' ' 67' ' ' LEU . 77.8 t -113.96 127.83 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -122.67 91.1 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.456 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -50.31 174.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.3 Cg_endo -74.97 178.18 7.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.22 -161.64 10.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.95 1.5 7.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.615 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -114.67 -46.91 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.52 125.25 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.0 24.76 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 20.7 mt-30 -129.75 159.97 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -89.17 163.21 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 7.6 pt-20 -154.71 115.34 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.2 t -106.19 123.49 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mp -120.37 121.78 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.35 140.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -90.53 131.95 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.58 148.87 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.35 -2.41 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.3 -9.06 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.72 31.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.39 -171.62 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -144.74 144.97 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -136.0 113.79 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.28 138.86 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.4 mt -113.26 159.61 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -93.54 121.23 65.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.69 11.91 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -103.64 141.32 22.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.9 7.73 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 tpp -76.58 -25.13 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.95 -14.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -95.9 3.3 53.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -115.27 -15.27 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' HA ' ' CE ' ' A' ' 65' ' ' LYS . 12.9 mt -95.72 -16.28 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 mt -96.18 -52.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -57.51 -36.24 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' CD ' HD21 ' A' ' 20' ' ' LEU . 1.8 ptpt -79.4 -23.27 43.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.511 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.7 OUTLIER -67.17 -33.49 75.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' B' ' 28' ' ' VAL . 9.7 mp -72.37 -15.63 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.6 tttt -105.06 -33.16 8.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.8 t30 61.43 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 136.23 -108.29 0.66 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.84 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 t -176.7 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.368 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -114.1 86.31 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.649 ' CD2' ' CG ' ' B' ' 34' ' ' HIS . 0.0 OUTLIER -104.3 176.01 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.65 -142.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.449 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 80.4 m -87.45 149.1 24.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . 0.476 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.52 -1.61 56.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . 0.466 ' HB2' ' CG ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -144.59 132.67 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -102.62 -16.45 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.514 ' O ' ' CG2' ' B' ' 14' ' ' THR . 1.8 tp60 -129.14 172.98 10.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 8.8 p -158.89 164.95 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 51' ' ' CYS . 4.8 mt -100.14 178.72 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -112.24 -13.04 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.22 98.77 0.16 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' B' ' 15' ' ' LEU . 3.4 mm -95.06 156.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.42 ' CD2' ' HG3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -56.6 140.22 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 13.5 tp -87.76 12.22 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.42 ' HG3' ' CD2' ' B' ' 19' ' ' HIS . 7.5 mttt -95.77 -19.09 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -98.34 -45.0 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.76 128.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.68 -24.61 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.431 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.4 OUTLIER -147.82 160.55 42.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.953 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' B' ' 63' ' ' ILE . 39.2 t -128.77 133.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -125.65 123.85 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 67' ' ' LEU . 72.4 t -115.88 114.93 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.06 88.67 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.511 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -53.37 168.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.438 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 158.23 42.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.13 -160.5 8.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.637 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.0 2.77 6.25 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.649 ' CG ' ' CD2' ' B' ' 7' ' ' LEU . 1.1 p-80 -112.43 -46.07 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 1.2 m -127.71 122.61 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.85 23.78 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.9 mm-40 -127.56 148.48 50.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 18.1 m -69.9 160.82 31.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.476 ' OE1' ' CB ' ' B' ' 10' ' ' GLN . 1.6 tt0 -148.12 91.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.46 126.15 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.9 mp -130.56 110.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.2 133.1 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.431 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.0 m -84.07 136.62 33.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.67 150.13 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -4.15 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.468 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.81 -10.57 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.05 -8.97 29.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.93 -172.19 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -144.79 144.6 31.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' B' ' 15' ' ' LEU . . . -133.43 111.55 10.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.52 138.57 49.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.407 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 24.5 mt -111.02 158.52 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.95 118.63 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.472 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.84 22.01 16.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 27.4 t -121.13 143.23 36.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.41 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -26.18 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' B' ' 52' ' ' LEU . 2.5 t -72.41 -15.15 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 4.11 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -115.66 -15.88 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.53 -16.41 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.439 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.6 mt -94.8 -54.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -54.84 -35.22 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.9 mttt -73.18 -33.81 65.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.487 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 1.6 mmm -62.97 -37.89 88.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 28' ' ' VAL . 9.6 mp -70.71 -15.68 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.73 -27.99 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 7.7 t-20 61.95 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -177.03 129.85 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -173.32 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -77.44 -57.43 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.32 86.34 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.677 ' CD2' ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -103.83 176.82 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -135.5 -142.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.0 m -81.91 165.92 20.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -103.22 -4.61 24.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 137.36 25.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.51 -14.63 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' O ' ' CG2' ' A' ' 14' ' ' THR . 2.3 tm0? -133.95 173.51 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 19.8 p -156.26 165.75 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' CYS . 2.0 mt -106.99 -178.75 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -88.47 -13.38 40.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . 146.93 -34.7 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 18.8 mm 55.63 164.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -64.62 138.51 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 48.2 tp -84.82 8.06 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -86.76 -18.13 31.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 3.3 m-20 -99.49 -44.13 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mt -51.31 128.21 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.93 -21.83 10.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.77 161.17 42.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 63' ' ' ILE . 72.4 t -129.66 142.25 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -137.74 125.52 22.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 86.3 t -114.4 109.56 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 88.31 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 1.1 p -57.29 169.29 0.76 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.948 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 157.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.45 -158.66 7.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.98 0.83 8.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.677 ' CG ' ' CD2' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.2 -53.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 126.84 54.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 23.64 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 31.9 mm-40 -127.76 154.1 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 m -85.89 165.06 17.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.54 105.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -88.44 125.82 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.44 111.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.64 139.28 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.6 m -88.72 131.02 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.3 150.21 35.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.484 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -74.96 -4.41 38.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.35 -9.65 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 108.42 -2.05 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.59 -171.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 47' ' ' GLY . 2.4 mptt -142.22 144.61 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -138.51 113.23 9.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.92 141.49 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' CD2' ' HA3' ' A' ' 17' ' ' GLY . 11.3 mt -111.52 160.18 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.3 t30 -91.08 117.37 67.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.55 19.76 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -118.74 142.16 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.41 11.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.762 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.0 tpp -77.98 -19.69 54.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 t -79.26 -12.51 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -97.14 3.87 51.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -118.31 -15.7 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.434 ' CD1' ' HA2' ' A' ' 17' ' ' GLY . 15.6 mt -91.14 -16.78 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 HG12 ' CG1' ' A' ' 26' ' ' VAL . 17.0 mt -93.41 -57.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -51.87 -36.27 47.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' ASN . 31.1 mmtt -71.33 -35.38 71.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.49 -39.44 80.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.2 mp -68.97 -15.51 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -102.42 -27.77 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.4 t-20 61.51 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 151.63 -133.81 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -65.41 -63.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -172.83 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.49 66.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.26 167.5 9.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.69 -144.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 m -97.9 160.67 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -5.08 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 137.29 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.35 -15.04 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -135.09 171.25 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -153.17 165.97 33.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.578 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 6.6 mt -102.61 134.33 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.523 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 1.7 tt0 -98.11 66.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.97 102.08 2.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' B' ' 15' ' ' LEU . 2.6 mm -123.51 158.84 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -65.24 131.54 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' B' ' 62' ' ' ILE . 1.2 tm? -89.73 17.15 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -94.83 -24.26 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.429 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 4.3 m-20 -93.46 -35.95 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.46 ' CG2' HD23 ' B' ' 20' ' ' LEU . 2.1 mt -56.8 132.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.71 -25.32 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.461 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.6 OUTLIER -146.97 165.0 31.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.99 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.477 ' CG2' ' HE1' ' B' ' 66' ' ' MET . 30.6 t -131.6 136.05 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -129.15 122.34 29.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 67' ' ' LEU . 5.2 t -114.33 119.24 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 98.65 5.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -58.77 173.5 0.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.03 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.33 -162.31 11.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 1.51 7.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.7 p-80 -113.77 -48.73 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 120.3 38.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.7 24.5 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.6 mm-40 -128.89 154.42 46.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.0 m -80.56 156.0 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -135.0 88.14 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.12 125.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 mm -126.05 154.25 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.415 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -142.27 128.16 19.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.4 m -80.18 140.52 36.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -88.72 150.05 23.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.47 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.58 -4.93 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.461 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.07 -8.48 25.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.0 -10.08 34.1 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.94 -173.05 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -145.12 144.65 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.578 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -130.3 110.8 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.2 m -67.91 140.3 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.8 mt -111.32 164.38 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -101.57 114.78 65.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.469 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.69 5.64 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 25.3 t -105.2 142.09 23.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.91 8.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.3 59.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 10.4 t -71.55 -13.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.66 3.77 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -117.48 -15.46 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' B' ' 20' ' ' LEU . 14.1 mt -91.41 -17.34 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 14.9 mt -92.64 -57.47 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.39 -34.73 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.8 mmtt -73.82 -35.57 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.495 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 1.9 mmm -62.04 -36.08 80.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.485 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 8.5 mp -71.33 -15.72 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -102.95 -29.21 11.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.1 t-20 61.89 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -121.55 157.02 16.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.63 -63.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -171.51 80.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 65.8 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.77 69.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.64 165.61 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -136.11 -144.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.07 168.92 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -4.46 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 127.67 18.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.19 -13.47 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -130.56 171.67 12.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 7.7 p -159.74 165.02 33.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mt -112.79 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.01 -15.01 55.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.52 102.16 0.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -84.84 163.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -46.66 138.19 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 62' ' ' ILE . 2.0 tm? -84.01 7.36 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' CG ' ' A' ' 19' ' ' HIS . 2.0 pttm -87.97 -10.32 50.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 4.1 m-20 -107.14 -38.83 5.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mt -59.0 130.27 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.74 -25.3 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.13 164.87 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.6 t -130.2 134.1 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -124.45 122.02 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' B' ' 67' ' ' LEU . 13.6 t -115.4 119.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.62 86.32 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.1 OUTLIER -51.84 174.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.96 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' CYS . . . -142.36 -159.47 7.95 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.2 8.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -113.63 -49.82 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -113.31 124.82 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.78 23.71 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -130.44 159.01 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.434 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.5 m -89.49 157.35 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 2.3 pm0 -146.0 72.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 54' ' ' PRO . 32.1 t -64.7 135.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.9 mp -131.47 155.4 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.27 133.14 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.4 m -84.4 139.57 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -88.3 150.25 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -73.82 -4.49 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.94 -7.82 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.77 -8.01 36.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.69 -173.74 4.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -145.04 144.42 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -132.56 112.52 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.34 137.86 46.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mt -115.22 165.2 13.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -99.61 122.81 50.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.445 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 18.2 Cg_endo -75.03 -5.19 16.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.54 21.14 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 t -120.34 143.86 36.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.431 ' CG ' HD13 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -59.46 -23.88 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.4 t -75.84 -14.06 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -97.33 3.47 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -117.49 -15.02 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CG2' HD21 ' A' ' 20' ' ' LEU . 14.6 mt -93.75 -16.16 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.1 mt -93.05 -54.57 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.44 -35.62 60.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -37.22 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -39.94 65.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.2 mp -68.16 -14.61 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -105.32 -18.6 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' A' ' 69' ' ' ASN . 19.0 t-20 62.88 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 119.65 -135.04 10.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -58.56 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.32 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.86 73.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -107.8 167.23 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -135.27 -144.14 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 m -97.38 163.63 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.21 -4.63 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 136.77 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.6 -15.05 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.09 170.92 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -152.37 165.1 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 8.8 mt -101.58 -177.54 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.57 -14.64 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' B' ' 62' ' ' ILE . . . 147.5 -35.64 1.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.0 mm 55.79 164.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -69.04 137.0 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 9.3 tp -80.28 3.22 21.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.6 OUTLIER -83.63 -15.4 49.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.43 -39.01 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.63 138.62 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HB2' ' CA ' ' B' ' 45' ' ' LYS . 0.1 OUTLIER -115.39 -24.73 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.01 161.98 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' B' ' 63' ' ' ILE . 25.1 t -126.52 132.36 70.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -123.05 122.64 38.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 67' ' ' LEU . 1.2 t -111.79 117.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 90.34 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -55.19 172.55 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.93 178.38 7.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -161.87 10.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.585 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -111.42 -50.53 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.38 122.59 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 24.15 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 34.8 mm-40 -126.92 154.81 43.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.464 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 56.0 m -79.46 165.01 23.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 75.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.92 124.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.447 ' CD1' ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.88 160.01 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.75 126.51 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -76.98 133.31 39.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 149.76 30.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.94 -1.97 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.478 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.22 -9.56 22.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 1.31 34.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 38.4 mt-30 -96.25 -171.21 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -142.56 147.28 35.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -134.47 111.85 10.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.447 ' SG ' ' CD1' ' B' ' 41' ' ' ILE . 1.2 m -69.26 140.08 54.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 108.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -113.07 162.26 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -94.58 117.55 66.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.464 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.9 7.49 30.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -106.44 145.59 31.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.447 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.48 -19.47 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 t -80.07 -9.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.27 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 -15.53 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' HA2' ' B' ' 17' ' ' GLY . 20.0 mt -90.99 -16.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.475 HG12 ' CG1' ' B' ' 26' ' ' VAL . 22.9 mt -94.45 -56.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -54.07 -35.2 61.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 72.0 mttt -72.02 -33.43 68.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 0.8 OUTLIER -61.41 -38.62 87.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 28' ' ' VAL . 7.7 mp -69.16 -15.5 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.78 -29.92 11.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 22.6 t-20 61.54 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 50.84 -161.93 1.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.61 -55.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.36 -52.89 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -114.2 84.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.71 166.86 10.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -135.16 -144.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 m -94.72 164.87 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 108.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -101.09 -5.82 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 135.25 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.26 -18.3 15.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -132.14 168.56 17.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -153.5 165.17 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 18.5 mt -91.12 178.53 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -111.69 -13.17 13.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 98.83 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 4.9 mm -97.45 158.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-80 -57.98 148.75 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.534 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 6.6 tp -90.57 19.29 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -9.5 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' LYS . 2.9 m-20 -108.55 -33.57 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -67.14 125.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -104.71 -25.59 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.495 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -152.21 161.5 42.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 23.9 t -127.57 129.28 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 17.5 tptp -120.01 120.89 37.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 47.4 t -109.83 116.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 92.87 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -59.71 171.23 0.87 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.96 19.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.13 -161.36 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.574 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -113.4 -50.29 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.48 117.13 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.68 23.97 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 13.1 mm-40 -127.17 148.05 50.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.462 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.9 m -77.7 155.29 31.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -134.98 79.12 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.74 118.56 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -120.33 154.79 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -144.13 134.72 24.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.495 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.9 m -80.09 143.08 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.45 154.27 17.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HD2' ' CA ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -74.34 -6.08 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.43 -9.77 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.97 -12.84 31.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 50.8 mt-30 -83.04 -171.21 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -142.86 144.97 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -126.25 112.16 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.78 137.03 56.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.02 156.45 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -90.78 119.1 69.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.02 -1.74 11.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.11 7.32 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 t -106.28 141.23 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -23.67 66.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 2.6 t -75.3 -3.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -104.25 3.44 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -15.98 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 20.0 mt -91.29 -16.73 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 ' CG2' HG13 ' A' ' 26' ' ' VAL . 43.4 mt -93.32 -56.42 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.92 -36.87 60.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 69' ' ' ASN . 9.1 mttt -70.41 -35.65 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.474 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -59.9 -39.47 85.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 67' ' ' LEU . 7.9 mp -68.51 -15.67 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -102.1 -27.84 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.0 t-20 61.76 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 117.75 -119.52 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -60.79 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.1 t -179.35 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.06 79.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.452 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.5 mp -104.78 171.64 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.56 -144.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.6 m -101.09 169.52 8.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.02 -2.37 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 134.96 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -103.23 -15.02 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.05 171.76 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.0 p -155.85 165.41 36.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 5.6 mt -108.12 132.92 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -64.92 -11.9 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.64 98.76 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.2 mm -94.36 162.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.471 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -54.63 136.75 45.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 37.4 tp -86.26 10.57 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.38 -11.6 51.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.461 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 5.7 m-80 -108.09 -39.21 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -56.66 130.08 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -22.26 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.72 165.05 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' B' ' 63' ' ' ILE . 53.5 t -133.54 138.17 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.433 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -133.11 126.95 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.416 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 69.9 t -115.87 112.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 84.51 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.418 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -45.34 165.16 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.415 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.02 165.48 31.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.44 -159.85 8.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -113.26 -48.55 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 124.32 51.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.4 24.41 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.8 mm-40 -130.35 152.07 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 47.5 m -72.56 165.08 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.65 91.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 92.8 t -90.41 119.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.37 110.49 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.57 146.58 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -94.32 133.48 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -79.71 150.59 30.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.476 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -74.72 -3.24 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.474 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.78 -9.72 22.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.51 -7.76 30.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -86.31 -171.34 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -144.51 144.68 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.483 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -132.45 112.25 11.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.82 140.06 49.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.274 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 mt -110.19 165.08 12.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.496 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 50.0 t30 -100.34 118.28 61.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.479 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.84 16.39 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 8.9 t -117.12 142.06 29.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.78 15.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -19.66 57.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.2 t -71.52 -18.31 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.63 3.55 55.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -117.35 -15.8 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 15.0 mt -91.65 -16.83 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' B' ' 26' ' ' VAL . 32.6 mt -91.59 -57.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.57 -36.71 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.7 OUTLIER -70.07 -36.31 74.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.471 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 2.3 mmm -61.7 -40.8 96.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.425 HD11 ' N ' ' B' ' 67' ' ' LEU . 7.7 mp -69.29 -15.55 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.32 -25.01 13.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.2 t30 61.68 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 136.53 119.55 1.87 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -174.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.1 p -171.79 82.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.19 83.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.648 ' CD2' ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -104.02 175.77 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -136.13 -144.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.37 157.82 37.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -6.0 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.62 128.64 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.47 -21.2 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.2 OUTLIER -128.8 172.22 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 2.4 p -158.5 165.32 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 9.8 mt -95.59 174.4 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -106.72 -13.29 15.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' HA3' ' CD1' ' A' ' 62' ' ' ILE . . . 146.23 95.36 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 2.0 mm -88.76 162.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -58.06 139.03 55.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 15.9 tp -82.79 6.01 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -94.02 -16.77 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -97.26 -42.29 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -59.4 132.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -24.46 9.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.94 161.14 42.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 28.7 t -129.95 132.59 65.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -123.21 122.07 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' CG1' HD13 ' B' ' 67' ' ' LEU . 54.4 t -111.75 115.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.53 94.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.478 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -55.25 175.66 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 179.23 6.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.41 -159.85 8.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.96 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.696 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -114.73 -54.25 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 52.7 t -106.0 118.08 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 23.89 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.7 mp0 -133.41 155.55 49.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.467 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 63.4 m -77.06 163.04 27.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 11' ' ' CYS . 61.7 mm-40 -144.65 78.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 63' ' ' ILE . 54.2 t -74.98 127.54 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 ' CD1' ' SG ' ' A' ' 51' ' ' CYS . 1.4 mm -126.05 160.15 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -149.14 129.83 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -82.06 128.15 33.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.76 148.9 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.13 -3.21 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.8 -10.08 23.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.68 -9.48 30.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 24.1 mt-30 -86.4 -172.58 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 1.4 mttt -140.64 149.3 42.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -134.92 112.61 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -72.01 137.82 47.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.9 158.31 19.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -98.85 121.34 56.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.97 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.02 18.91 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 t -117.24 142.64 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.88 7.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -25.66 53.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.86 -10.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -101.13 3.66 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -117.45 -16.19 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 13.9 mt -91.6 -16.84 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.457 HD12 ' CG1' ' A' ' 40' ' ' VAL . 15.9 mt -93.98 -56.16 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.4 -35.1 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mtpt -71.69 -33.91 69.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 30' ' ' SER . 1.5 tmm? -61.11 -38.62 86.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' B' ' 28' ' ' VAL . 7.8 mp -69.73 -15.55 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.7 mmtt -102.78 -27.14 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . 28.0 t-20 62.12 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.16 108.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.61 -173.18 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 p 173.24 72.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.046 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.542 0.21 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -103.17 76.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.422 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.5 mp -108.84 167.7 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -135.1 -144.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 30.1 m -97.2 156.44 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.79 -3.56 58.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 126.62 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.5 -18.02 27.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.451 ' O ' ' CG2' ' B' ' 14' ' ' THR . 5.7 tt0 -135.13 173.55 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 3.8 p -157.41 165.18 36.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' B' ' 51' ' ' CYS . 24.5 mt -104.9 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.456 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 10.8 tt0 -98.91 -8.18 26.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.42 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 125.02 100.97 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.4 mt -86.27 160.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.3 OUTLIER -52.55 141.93 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -78.55 0.44 26.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -78.96 -15.56 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.7 -55.79 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.99 129.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -19.16 13.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.32 157.7 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' B' ' 63' ' ' ILE . 42.4 t -130.87 135.56 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.43 127.13 38.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 67' ' ' LEU . 14.0 t -113.25 121.71 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.01 87.26 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.472 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -45.65 170.36 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.98 176.37 10.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -162.33 10.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -112.37 -49.69 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 120.07 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.89 24.31 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 23.1 mm-40 -125.77 154.88 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 16.7 m -80.18 160.54 25.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 109.85 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -106.97 117.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.97 115.82 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.85 146.67 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -95.34 131.38 41.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.71 150.03 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 5.3 tppt? -74.66 -4.46 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.21 -8.86 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.62 -8.02 32.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 45.1 mt-30 -85.9 -172.35 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.258 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.0 OUTLIER -142.29 145.04 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -135.41 113.51 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.62 139.66 42.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 108.265 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 24.1 mt -110.21 165.27 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.503 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 59.4 t30 -96.33 121.09 61.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.48 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.75 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.17 21.1 17.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 9.5 t -118.28 144.06 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -20.86 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.31 -19.72 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.1 OUTLIER -94.32 3.52 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.19 -16.15 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.42 HD12 ' CA ' ' B' ' 17' ' ' GLY . 16.7 mt -91.45 -16.87 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.483 HG12 ' CG1' ' B' ' 26' ' ' VAL . 14.8 mt -92.18 -57.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.65 -35.41 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' B' ' 69' ' ' ASN . 5.0 mmtt -75.88 -29.41 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.478 ' CE ' ' HB2' ' A' ' 30' ' ' SER . 2.8 mmm -69.65 -36.89 76.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.486 HD13 ' CG1' ' A' ' 28' ' ' VAL . 9.2 mp -74.34 -15.32 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 70' ' ' GLY . 1.5 mtpt -105.82 -19.97 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.7 t-20 62.16 -77.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 167.98 159.31 13.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -150.5 -68.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t 47.32 80.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.98 74.06 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.0 mp -107.35 163.88 12.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -134.74 -145.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.5 m -94.91 142.71 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -4.47 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 128.4 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.08 -17.91 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -128.02 173.24 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 2.0 p -159.44 165.27 33.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.1 mt -110.82 137.75 48.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -68.31 -13.91 62.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.07 100.25 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 3.4 mm -93.56 159.21 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.88 132.8 32.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.51 12.8 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -91.71 -19.76 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 3.5 m-20 -98.35 -36.88 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' HD23 ' A' ' 20' ' ' LEU . 2.1 mt -55.44 131.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -24.7 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.75 163.71 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.0 t -130.32 132.93 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ILE . 20.0 tptt -129.46 121.54 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' B' ' 67' ' ' LEU . 9.7 t -115.73 120.94 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -122.26 87.33 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -47.02 175.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.5 Cg_endo -75.0 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.14 -157.41 7.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.93 0.92 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.602 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -116.69 -58.73 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.6 t -100.47 115.12 29.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' H ' ' NE2' ' A' ' 37' ' ' GLN . . . -92.58 24.71 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.9 mp0 -136.33 152.45 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.426 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 20.9 m -74.26 163.96 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.1 77.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.25 132.44 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 2.0 mp -129.45 118.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.76 134.54 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -83.51 140.74 32.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.56 150.21 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.59 -4.71 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.04 -7.8 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.71 -10.57 35.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -81.4 -172.74 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -145.38 144.67 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -132.06 110.65 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.13 140.38 48.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.6 mt -106.37 166.34 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 41.4 t30 -96.03 110.18 50.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.98 46.4 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.99 27.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 31.0 t -127.26 146.74 59.2 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.86 10.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.773 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -99.37 -21.38 16.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 53' ' ' ASN . 2.6 t -73.31 -22.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -94.33 3.49 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -116.33 -16.21 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 58' ' ' MET . 11.8 mt -94.15 -15.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.14 -55.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 73.2 mt-10 -51.38 -34.55 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -76.54 -34.45 58.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.492 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 1.0 OUTLIER -59.05 -36.27 74.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' B' ' 28' ' ' VAL . 8.5 mp -69.89 -15.3 63.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpt -104.05 -31.28 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t30 61.27 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 114.71 137.44 6.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -80.9 -172.03 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.01 78.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.88 73.18 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.7 mp -105.67 168.74 8.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -135.79 -144.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.484 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 78.4 m -102.22 164.64 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -4.78 27.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 137.41 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -103.7 -15.03 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -135.19 168.21 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 0.9 OUTLIER -151.57 164.89 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 51' ' ' CYS . 5.5 mt -96.79 -175.3 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -106.26 -13.26 15.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.32 98.8 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 7.9 mt -91.47 163.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -52.52 139.16 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 1.6 tm? -87.75 12.75 12.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.2 OUTLIER -92.2 -24.02 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -92.68 -33.57 14.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.457 ' CG2' HD23 ' B' ' 20' ' ' LEU . 1.3 mt -59.93 133.75 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -113.34 -23.41 9.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.4 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -151.2 165.46 33.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' B' ' 63' ' ' ILE . 29.7 t -131.19 140.49 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' CE ' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tptt -133.57 123.22 24.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 67' ' ' LEU . 15.3 t -116.94 103.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 92.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.492 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -61.77 171.46 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.99 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.35 -158.79 17.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.23 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.73 121.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.18 24.17 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.3 mt-30 -129.93 159.5 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 36.6 m -86.61 164.48 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' CB ' ' B' ' 9' ' ' CYS . 0.5 OUTLIER -147.3 74.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 57.2 t -72.71 123.75 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.432 ' CD1' ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -125.82 151.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.423 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -138.68 126.3 22.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.4 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 22.0 m -79.3 141.13 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.37 151.42 21.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.42 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -74.29 -4.78 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.457 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.12 -8.59 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.74 -10.11 34.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -82.92 -174.18 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -146.12 144.62 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.406 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -129.63 110.74 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.432 ' SG ' ' CD1' ' B' ' 41' ' ' ILE . 1.3 m -68.86 137.0 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 20.4 mt -110.96 161.49 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -93.75 121.37 64.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 -3.97 14.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.65 16.37 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -114.03 141.24 25.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.02 9.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -24.83 60.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' B' ' 52' ' ' LEU . 3.7 t -73.64 -13.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.445 ' HE3' ' CD2' ' A' ' 67' ' ' LEU . 6.5 mmmm -98.21 2.84 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -117.42 -15.47 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.469 ' CG2' HD21 ' B' ' 20' ' ' LEU . 16.4 mt -92.22 -16.51 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' B' ' 26' ' ' VAL . 19.6 mt -93.55 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -52.74 -35.78 56.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 69' ' ' ASN . 45.2 mttt -71.32 -35.67 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 1.2 mmm -60.21 -38.9 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 28' ' ' VAL . 7.7 mp -69.99 -15.53 63.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.29 -23.86 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 65' ' ' LYS . 17.5 t30 62.3 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 169.62 140.47 2.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -69.14 -172.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p 176.94 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 61.4 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.36 86.3 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.634 ' CD2' ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -103.74 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -135.93 -143.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.53 156.41 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 108.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -91.75 -4.7 54.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.99 120.96 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.64 -14.79 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.518 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.2 OUTLIER -126.61 172.64 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 2.4 p -160.86 165.85 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 3.8 mt -110.24 150.45 28.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 4.3 tm0? -81.94 -15.03 55.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.38 101.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -97.48 155.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 139.29 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 41.7 tp -86.6 11.57 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -91.26 -19.67 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 5.2 m-20 -96.75 -42.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.81 128.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -19.29 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.13 159.45 41.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 39.7 t -129.92 135.53 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -134.02 127.37 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG1' ' HG ' ' B' ' 67' ' ' LEU . 72.1 t -116.52 108.89 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 86.42 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.09 170.48 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 162.6 36.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.09 -156.87 7.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.697 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.89 -0.65 10.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.697 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -117.28 -52.99 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.645 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.05 122.05 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.59 24.34 9.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 5.8 mp0 -140.46 157.24 45.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 75.9 m -70.53 165.27 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 69.4 mm-40 -153.19 76.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.65 126.3 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.7 mp -129.65 105.8 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.56 139.47 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -87.34 132.21 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -78.81 150.0 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.37 -4.0 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.46 -9.63 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.54 -10.35 30.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -85.23 -172.18 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 147.36 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -136.52 113.38 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.39 140.21 46.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 108.27 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 mt -106.73 160.44 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 15' ' ' LEU . 41.4 t30 -88.67 112.94 53.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.96 49.09 2.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -123.2 149.66 58.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.81 8.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 24.5 tpp -83.05 -24.41 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.76 -16.13 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 4.26 44.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -117.97 -15.87 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 58' ' ' MET . 19.0 mt -93.24 -16.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG12 ' CG1' ' A' ' 26' ' ' VAL . 18.1 mt -93.94 -56.14 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -52.23 -36.76 53.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -69.6 -36.94 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.474 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -57.25 -41.47 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.73 -15.93 63.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -101.07 -30.52 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.4 t30 61.82 -78.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 166.07 -130.31 2.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -59.07 -171.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -43.44 -64.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.054 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' B' ' 7' ' ' LEU . 1.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.81 85.88 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.641 ' CD2' ' CG ' ' B' ' 34' ' ' HIS . 0.0 OUTLIER -104.68 175.73 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -135.72 -143.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.05 164.09 26.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -5.55 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 135.22 24.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.64 -15.13 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -134.64 165.23 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -151.37 165.28 34.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 4.8 mt -106.4 147.27 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.03 -12.17 60.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.19 103.25 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 11.3 mt -82.72 161.01 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.457 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 2.2 t-160 -53.09 148.49 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 8.5 tp -88.43 13.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.42 -4.39 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -114.86 -39.35 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.33 129.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.426 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.14 -25.06 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.451 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.1 OUTLIER -152.62 163.02 40.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.442 ' CG1' HG12 ' B' ' 63' ' ' ILE . 68.4 t -128.41 139.3 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 10.1 tptm -131.51 120.44 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' B' ' 27' ' ' LYS . 14.0 t -111.39 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -113.92 79.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.424 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -44.52 169.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.3 Cg_endo -74.99 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -158.11 8.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.52 7.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.641 ' CG ' ' CD2' ' B' ' 7' ' ' LEU . 1.4 p-80 -114.12 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 42.3 t -111.81 120.95 43.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.8 24.44 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.5 mm-40 -133.35 152.74 51.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.454 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -76.7 159.54 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -146.35 83.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.54 128.26 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.5 mt -124.51 109.02 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' B' ' 52' ' ' LEU . . . -96.92 128.18 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.451 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 19.9 m -79.6 140.94 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.18 151.06 21.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.426 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.1 OUTLIER -73.87 -5.17 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.46 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.84 -8.61 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.442 ' O ' ' CE ' ' B' ' 49' ' ' LYS . . . 107.98 -9.65 36.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 64.9 mt-30 -84.25 -175.19 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' B' ' 47' ' ' GLY . 0.0 OUTLIER -143.47 144.3 31.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.51 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -133.59 111.53 10.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -62.81 138.02 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.432 ' CD1' ' HB1' ' B' ' 42' ' ' ALA . 22.9 mt -110.92 158.5 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -91.46 117.55 67.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.454 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.97 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.4 27.37 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -122.74 144.81 43.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.05 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -25.29 60.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 59' ' ' VAL . 2.6 t -74.15 -6.19 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -101.27 3.33 40.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -119.05 -15.72 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.47 -16.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.0 mt -95.62 -56.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -54.99 -32.44 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' B' ' 61' ' ' LYS . 23.9 mmtp -76.04 -32.57 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.4 mmm -65.69 -36.3 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.485 ' HG ' ' CG1' ' A' ' 28' ' ' VAL . 9.6 mp -72.07 -15.46 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.56 -29.51 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' LYS . 10.7 t-20 61.57 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -146.92 143.54 11.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -172.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.8 86.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.16 86.52 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.667 ' CD2' ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -104.61 177.06 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.54 -143.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 69.5 m -77.37 141.45 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -79.67 0.04 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.2 114.58 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.06 -26.05 29.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 2.1 tm0? -136.17 169.31 17.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 p -155.07 159.07 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 18' ' ' ILE . 11.8 mt -114.67 172.25 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -116.08 70.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 62' ' ' ILE . . . 86.49 101.39 0.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' A' ' 15' ' ' LEU . 94.3 mt -101.83 153.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.415 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -62.39 138.72 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 11.7 tp -88.93 16.87 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -96.7 -18.36 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 6.3 m-80 -104.64 -42.86 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mt -54.5 129.38 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.15 -21.93 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -151.57 160.0 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 63' ' ' ILE . 31.8 t -128.69 133.83 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -126.69 123.71 38.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.417 ' CG1' ' HE1' ' B' ' 66' ' ' MET . 0.4 OUTLIER -112.72 121.09 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.06 95.22 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.454 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -52.85 175.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -75.06 174.11 13.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.5 -161.53 9.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.667 ' CG ' ' CD2' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.04 -51.2 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -116.46 124.49 50.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.05 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.4 mt-30 -127.97 160.07 33.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.502 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 26.4 m -76.2 162.0 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.48 92.27 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.15 127.3 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.8 113.91 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.17 138.0 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 16.0 m -86.97 141.48 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.31 149.57 22.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.3 OUTLIER -73.77 -4.7 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.49 -8.72 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 106.21 0.23 38.15 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 31.5 mt-30 -94.86 -171.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 3.9 mptt -143.45 145.96 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . . . -130.65 110.9 11.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 8.1 m -68.11 134.8 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 18' ' ' ILE . 29.1 mt -110.68 163.81 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -100.71 122.39 49.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.502 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.02 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.43 12.0 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -108.29 142.26 24.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.35 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tpp -68.99 -25.87 64.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.1 t -70.36 -10.34 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.92 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -116.83 -15.75 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 17' ' ' GLY . 13.5 mt -93.88 -16.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG12 ' CG1' ' A' ' 26' ' ' VAL . 16.7 mt -94.12 -53.63 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.77 -34.73 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.5 mttm -74.18 -30.88 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 1.3 mmm -61.86 -37.39 84.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' B' ' 28' ' ' VAL . 9.0 mp -70.01 -15.41 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.1 ttpp -103.29 -30.21 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.1 t30 61.97 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 130.07 167.6 12.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.093 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -52.3 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t 48.37 86.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.2 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -107.22 69.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.99 168.3 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -135.98 -143.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 16.8 m -98.95 163.84 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -3.37 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 125.88 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -91.02 -16.66 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.412 ' O ' ' CG2' ' B' ' 14' ' ' THR . 0.1 OUTLIER -134.67 172.04 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 11.5 p -154.97 165.6 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 51' ' ' CYS . 2.7 mt -101.74 170.52 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 5.6 tm0? -92.55 -10.1 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.474 ' CA ' HD12 ' B' ' 62' ' ' ILE . . . 126.06 101.64 1.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.0 mt -88.89 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -52.02 146.89 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -89.23 16.47 7.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.484 ' O ' ' CD ' ' B' ' 21' ' ' LYS . 9.7 tppt? -98.23 -5.59 32.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.56 -50.26 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.4 135.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -25.56 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.72 154.62 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HG3' ' B' ' 66' ' ' MET . 41.8 t -129.56 132.92 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.35 125.0 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 67' ' ' LEU . 73.1 t -112.55 121.04 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 92.58 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -51.06 173.78 0.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 175.97 10.53 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.4 -161.77 9.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.619 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.619 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.47 -52.32 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.07 122.47 47.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.6 23.68 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 7.4 mt-30 -127.36 159.72 33.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.5 m -85.34 157.1 20.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.79 102.18 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.5 t -97.08 121.33 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.18 117.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.53 144.84 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 17.4 m -93.83 131.26 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.63 148.44 36.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.96 -3.79 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.461 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.13 -8.86 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.68 -3.92 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' OE1' ' ND2' ' B' ' 46' ' ' ASN . 52.0 mt-30 -89.51 -172.08 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 147.98 35.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.03 117.52 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -78.99 141.92 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.277 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 20.2 mt -113.39 165.11 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -98.57 119.87 60.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.466 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -2.81 13.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.53 19.86 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 17.5 t -114.05 144.01 30.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.4 5.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 tpp -72.46 -24.68 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.13 -11.98 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.7 3.36 55.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.16 -15.1 9.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.528 ' CG2' HD22 ' B' ' 20' ' ' LEU . 18.4 mt -90.62 -16.92 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.456 HG12 ' CG1' ' B' ' 26' ' ' VAL . 15.8 mt -94.64 -56.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -54.09 -35.51 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 69' ' ' ASN . 39.9 mttt -71.16 -33.72 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.467 ' HG3' ' CG2' ' B' ' 26' ' ' VAL . 1.2 tmm? -60.57 -43.14 97.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.424 HD11 ' N ' ' B' ' 67' ' ' LEU . 6.8 mp -66.73 -15.52 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -101.52 -28.11 12.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 65' ' ' LYS . 15.7 t30 61.8 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -53.48 164.33 2.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 -63.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -170.92 95.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -114.59 85.58 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.2 mp -104.45 163.43 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -135.47 -144.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.6 m -93.68 150.78 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -5.58 47.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.43 129.77 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -91.66 -19.2 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' O ' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -135.05 172.21 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 16.2 p -156.52 165.32 36.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mt -96.79 172.14 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 12.1 tt0 -101.75 -7.5 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.1 97.64 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.5 mm -88.05 154.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -49.49 137.4 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.575 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 55.2 tp -81.93 4.56 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -87.69 -15.54 36.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 8.4 m-20 -101.02 -49.86 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' CB ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -51.69 127.49 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 -18.69 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.456 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -152.8 161.32 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 55.2 t -132.01 142.51 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -141.23 127.21 19.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -115.36 115.27 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.09 88.02 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.475 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -48.13 172.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.54 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.04 1.84 7.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.8 p-80 -117.17 -56.31 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 45.0 t -102.33 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.29 24.6 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 37.6 mm-40 -135.9 160.51 38.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 m -89.07 155.11 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -144.35 89.43 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.1 t -77.31 122.73 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.4 mm -118.95 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -118.61 139.33 51.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -90.29 135.94 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.58 150.73 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.37 -4.2 34.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.16 -9.44 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.52 -7.22 31.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.36 -171.79 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -145.04 144.85 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.88 111.73 12.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' LEU . 1.3 m -69.6 135.57 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -114.33 165.98 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -108.37 120.92 45.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.35 1.08 46.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -103.21 145.32 30.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 30.6 tpp -59.92 -25.81 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.05 -14.71 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -95.83 4.11 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -116.22 -15.23 11.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.6 mt -94.75 -16.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.414 HG12 ' CG1' ' A' ' 26' ' ' VAL . 16.6 mt -94.01 -53.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 70.4 mt-10 -55.8 -35.67 66.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 4.7 mttm -72.13 -33.76 68.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.483 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 2.1 mmm -60.45 -38.21 83.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' B' ' 28' ' ' VAL . 8.7 mp -68.98 -15.61 63.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -102.7 -31.48 10.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.9 t-20 61.52 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 134.46 -114.76 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -75.88 -60.9 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.86 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -112.84 84.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -108.0 168.07 9.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.2 -144.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.84 164.99 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.86 8.02 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -87.36 -25.98 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.402 ' O ' ' CG2' ' B' ' 14' ' ' THR . 2.7 tt0 -135.91 178.95 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' B' ' 13' ' ' GLN . 1.4 p -157.18 160.57 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.503 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 2.6 mt -110.69 -161.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.516 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 16.5 tt0 -112.65 0.59 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.481 ' HA2' ' CD1' ' B' ' 62' ' ' ILE . . . 136.62 -39.7 1.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.522 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.7 mm 55.88 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -63.78 146.05 54.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 12.1 tp -91.37 8.97 33.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.84 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -97.69 -39.34 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -57.58 129.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.34 -25.49 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 163.44 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.413 HG11 ' N ' ' B' ' 27' ' ' LYS . 46.9 t -126.45 137.3 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 7.8 tptm -126.27 118.46 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 67' ' ' LEU . 4.0 t -110.88 114.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.2 OUTLIER -117.69 83.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.9 OUTLIER -46.91 174.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.441 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.06 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.72 -158.15 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.79 7.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.26 -55.64 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.639 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.77 124.96 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.54 24.06 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.4 mp0 -132.02 157.61 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.409 ' C ' ' OE1' ' B' ' 39' ' ' GLU . 25.6 m -83.49 162.97 20.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' B' ' 38' ' ' THR . 2.0 pm0 -156.22 87.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 23.0 t -78.24 133.63 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.1 mp -125.67 110.01 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.466 ' HB3' ' CD1' ' B' ' 52' ' ' LEU . . . -94.64 129.49 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -82.49 141.95 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.33 151.53 20.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.75 -4.89 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.47 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.05 -8.78 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.06 -10.82 34.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -82.54 -173.04 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -145.51 143.95 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.503 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -128.27 110.68 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' B' ' 15' ' ' LEU . 7.6 m -63.32 134.96 56.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 42' ' ' ALA . 23.2 mt -110.9 165.86 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -97.95 109.45 51.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' B' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 47.69 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.59 29.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -123.7 147.88 54.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . 0.47 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 18.2 Cg_endo -75.04 -13.57 21.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -96.97 -22.68 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' B' ' 59' ' ' VAL . 10.7 t -85.35 -4.49 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -108.18 2.51 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' HD2' ' B' ' 60' ' ' LYS . 8.2 mttp -115.0 -17.73 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' B' ' 58' ' ' MET . 13.5 mt -89.88 -18.03 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 41.9 mt -89.76 -59.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -48.72 -37.84 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.87 -38.02 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 30' ' ' SER . 2.0 mmm -57.3 -38.58 74.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.487 HD11 ' N ' ' B' ' 67' ' ' LEU . 4.7 mp -68.42 -15.92 63.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -101.42 -28.3 12.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' B' ' 68' ' ' LYS . 16.7 t30 61.96 -77.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 49.73 -151.9 3.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' B' ' 72' ' ' SER . 1.4 mtmt -72.71 -69.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 71' ' ' LYS . 0.1 OUTLIER 81.47 -52.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 0.0 110.038 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 7' ' ' LEU . 15.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.45 84.92 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 5' ' ' THR . 3.8 mp -104.98 163.58 12.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.89 -145.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 m -95.48 162.46 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -94.38 -4.64 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -141.19 126.62 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -98.4 -14.03 20.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -132.43 168.62 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 52' ' ' LEU . 1.1 p -153.38 165.11 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 3.6 mt -109.72 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.09 -14.86 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 52' ' ' LEU . . . 138.47 -31.07 2.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 10.2 mt 55.85 164.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -54.38 137.64 41.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -86.6 11.64 12.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 7.8 mttm -90.93 -23.13 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -93.68 -34.34 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.453 ' CG2' HD23 ' A' ' 20' ' ' LEU . 1.6 mt -57.77 134.19 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -25.51 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.45 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -152.51 161.92 41.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.439 ' CG1' HG12 ' A' ' 63' ' ' ILE . 47.3 t -129.41 137.94 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 126.82 27.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' B' ' 67' ' ' LEU . 61.8 t -120.6 117.95 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 100.75 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -59.15 170.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.92 -158.54 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.605 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.605 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -118.43 -56.87 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 44.8 t -100.18 113.59 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 108.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 24.27 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.4 mp0 -131.51 157.44 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.3 m -78.73 160.74 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -146.31 102.05 3.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.6 t -100.9 122.32 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 mp -124.73 107.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -95.62 133.13 40.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.7 m -82.02 141.46 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.32 150.77 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -3.67 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.4 -8.19 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.57 -2.94 36.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 52.6 mt-30 -90.68 -173.79 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -145.03 144.41 30.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . . . -133.48 113.66 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.62 140.23 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 ' CD2' ' HA3' ' A' ' 17' ' ' GLY . 16.4 mt -112.46 165.38 12.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -100.77 116.45 64.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.94 2.0 7.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.23 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 11.6 t -118.07 141.72 29.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.64 11.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.496 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -84.16 -17.5 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 56' ' ' SER . 25.5 t -81.02 -13.25 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -99.75 3.92 45.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -117.75 -15.66 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 58' ' ' MET . 14.3 mt -92.78 -17.26 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG12 ' CG1' ' A' ' 26' ' ' VAL . 19.7 mt -92.55 -56.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -51.21 -36.76 43.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -73.24 -34.32 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.438 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 1.1 tmm? -58.55 -40.2 82.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD11 ' N ' ' A' ' 67' ' ' LEU . 7.0 mp -67.12 -16.06 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -101.78 -29.97 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' LYS . 13.9 t-20 61.18 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 139.81 -146.67 18.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 -72.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 t 65.27 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -99.85 68.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.408 ' C ' ' HG2' ' B' ' 8' ' ' ARG . 5.6 mp -105.3 167.75 9.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' B' ' 7' ' ' LEU . 0.4 OUTLIER -134.76 -141.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' B' ' 39' ' ' GLU . 34.0 m -99.9 169.35 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -3.43 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.5 138.06 30.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.08 -14.14 15.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -130.93 166.31 21.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.4 p -152.36 165.31 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.592 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 6.1 mt -103.71 157.88 16.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 1.6 tt0 -114.58 71.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.34 99.39 0.62 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.407 HG13 ' CD1' ' B' ' 15' ' ' LEU . 6.5 mm -112.42 157.6 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.34 131.63 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 11.7 tp -88.03 14.4 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -100.23 -8.86 23.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' B' ' 45' ' ' LYS . 1.8 m-20 -110.46 -27.47 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' B' ' 42' ' ' ALA . 0.7 OUTLIER -67.09 128.09 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.492 ' CA ' ' HD2' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -100.56 -24.6 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -165.42 165.57 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.469 ' CG1' HG12 ' B' ' 63' ' ' ILE . 44.3 t -125.53 136.47 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 9.8 tptm -125.41 120.69 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.448 ' N ' ' HD2' ' B' ' 27' ' ' LYS . 59.8 t -107.19 117.55 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 81.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -47.96 163.1 0.3 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 161.21 39.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.04 -158.81 9.35 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.593 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.72 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.593 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -110.97 -54.26 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -110.92 121.26 44.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.339 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.71 23.67 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.44 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.0 OUTLIER -127.6 151.29 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' B' ' 54' ' ' PRO . 23.5 m -78.0 161.77 27.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' SG ' ' B' ' 9' ' ' CYS . 1.2 tp10 -140.19 69.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 62.6 t -69.15 121.36 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 mm -118.37 151.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.412 ' CB ' HG12 ' B' ' 23' ' ' ILE . . . -135.71 122.69 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.447 ' N ' ' O ' ' B' ' 25' ' ' SER . 17.7 m -74.76 142.19 44.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.26 154.18 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.492 ' HD2' ' CA ' ' B' ' 24' ' ' GLN . 1.3 mptm? -74.25 -6.39 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.49 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.9 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.95 -12.4 31.97 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -80.61 -170.4 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -145.45 143.93 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -123.66 107.18 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.0 OUTLIER -63.13 138.77 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.9 mt -109.44 165.89 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.441 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 19.3 t30 -96.82 110.29 52.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.468 ' CB ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.05 46.5 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.51 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 28.5 t -127.62 147.56 63.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.497 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.0 OUTLIER -99.36 -19.15 17.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 3.6 t -75.77 -19.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.545 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -95.29 3.67 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -117.23 -15.85 10.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' B' ' 58' ' ' MET . 10.7 mt -92.99 -16.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.469 HG12 ' CG1' ' B' ' 26' ' ' VAL . 14.8 mt -94.3 -55.69 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.93 -34.89 60.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 6.3 mtpt -72.73 -35.32 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 30' ' ' SER . 2.8 mmm -62.93 -38.94 92.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 28' ' ' VAL . 9.4 mp -70.69 -15.41 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.2 OUTLIER -102.63 -27.2 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 6.2 t-20 61.89 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 44.53 -111.43 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -147.74 -62.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 28.1 t -179.09 74.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -114.74 85.87 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.667 ' CD2' ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -104.88 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 -143.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 57.3 m -83.85 160.21 21.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -91.77 -5.36 53.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 132.1 20.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -92.24 -18.79 22.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -135.15 168.19 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -151.45 165.4 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.439 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' CYS . 17.6 mt -99.43 -178.17 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -103.41 -14.21 16.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.481 ' CA ' ' CD1' ' A' ' 62' ' ' ILE . . . 134.26 100.64 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 50' ' ' ALA . 24.2 mt -85.0 158.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -55.42 141.57 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.6 tp -78.34 0.68 24.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -80.3 -4.59 53.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -115.73 -57.58 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 HG12 ' CB ' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -42.05 129.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.27 -24.45 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.56 162.68 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 25.5 t -129.79 138.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.02 123.95 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' B' ' 67' ' ' LEU . 24.9 t -119.92 118.54 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.29 98.73 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -57.65 171.54 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.05 21.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.46 -159.66 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.667 ' CG ' ' CD2' ' A' ' 7' ' ' LEU . 1.1 p-80 -110.75 -53.52 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.08 124.42 52.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.326 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.17 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.78 152.09 51.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.224 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.464 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 33.1 m -82.02 162.62 22.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.71 86.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' C ' ' CD1' ' A' ' 41' ' ' ILE . 43.4 t -76.72 128.01 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.7 mm -124.22 131.53 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' CB ' HG12 ' A' ' 23' ' ' ILE . . . -119.8 134.14 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 18.4 m -87.79 135.4 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.9 149.93 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.09 -4.38 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.33 -8.94 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.79 -10.02 32.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -173.05 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.242 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.57 144.54 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 18' ' ' ILE . . . -128.23 108.88 10.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' LEU . 1.1 m -66.31 137.19 56.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 19.5 mt -114.86 156.38 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -93.21 123.59 60.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.99 1.21 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.56 14.72 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -111.77 145.15 32.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.98 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -27.14 68.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 52' ' ' LEU . 5.2 t -69.51 -16.17 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.79 3.66 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -116.39 -15.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' ' CA ' ' A' ' 17' ' ' GLY . 15.1 mt -94.15 -16.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.5 mt -93.76 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 62.8 mt-10 -51.8 -36.39 47.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -73.65 -33.52 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.504 ' HG3' ' CG2' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -61.23 -36.47 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' B' ' 28' ' ' VAL . 7.7 mp -69.66 -15.69 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.2 mmtt -103.78 -29.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 62.15 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 120.06 -173.93 15.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -175.4 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.08 -53.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -114.76 85.13 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -104.89 167.65 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -135.0 -145.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 m -97.4 141.02 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -5.99 47.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.61 134.97 24.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -102.37 -15.02 16.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -135.08 168.24 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -152.81 165.57 34.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' B' ' 51' ' ' CYS . 13.2 mt -103.33 176.63 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 5.0 tm0? -94.61 -11.01 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.63 95.25 0.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.9 mt -77.61 163.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.493 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -51.75 135.65 28.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 36.3 tp -80.36 3.21 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -86.92 -4.33 59.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -112.91 -44.93 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.26 135.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -115.02 -25.64 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.58 159.11 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' B' ' 63' ' ' ILE . 42.9 t -133.99 139.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -134.65 127.04 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 67' ' ' LEU . 2.7 t -108.99 114.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -108.17 86.58 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -54.57 171.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -75.02 -174.13 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.78 -158.95 15.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.6 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.6 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.78 -56.56 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -113.95 119.27 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 108.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.6 24.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.461 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 11.8 mt-30 -129.37 159.09 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 14.9 m -87.02 160.34 18.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -147.28 91.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 54.2 t -87.0 109.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.437 ' CD1' ' SG ' ' B' ' 51' ' ' CYS . 1.4 mm -106.84 133.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.97 130.08 53.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 33.4 m -86.68 138.68 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.8 149.02 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.18 -4.41 32.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.14 -7.5 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.79 -8.38 36.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -82.46 -175.95 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -146.75 144.59 29.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.63 112.16 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' B' ' 15' ' ' LEU . 1.1 m -69.01 137.69 53.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' B' ' 14' ' ' THR . 24.3 mt -110.11 165.58 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.502 ' O ' ' CG2' ' B' ' 59' ' ' VAL . 60.8 t30 -94.12 120.73 65.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.478 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.08 23.57 13.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.481 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 4.7 t -116.83 143.31 31.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.3 14.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.3 tpp -76.0 -20.55 57.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.88 -20.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.69 4.06 54.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -116.72 -15.82 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.5 mt -92.6 -16.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.465 HG12 ' CG1' ' B' ' 26' ' ' VAL . 14.4 mt -92.77 -55.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -53.32 -36.07 60.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 22.4 mmtm -76.34 -27.57 56.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.5 ' CE ' ' OG ' ' A' ' 30' ' ' SER . 1.2 mmm -70.25 -38.67 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.476 HD13 ' CG1' ' A' ' 28' ' ' VAL . 9.2 mp -72.3 -15.53 61.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -103.97 -27.22 12.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.9 t-20 62.11 -77.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -168.18 -175.01 37.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 -60.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m 61.97 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.47 86.4 2.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.682 ' CD2' ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -103.81 176.92 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -135.92 -143.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 65.6 m -78.01 157.49 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -2.06 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.68 133.3 22.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.8 -16.13 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -134.37 168.2 19.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -151.99 165.46 34.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' CYS . 9.4 mt -107.31 140.08 40.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 16.9 tt0 -64.95 -11.02 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 99.13 1.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 9.2 mt -94.39 162.48 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.3 t-160 -48.14 136.48 11.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' CG2' ' A' ' 23' ' ' ILE . 15.1 tp -80.67 2.77 24.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -19.49 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 20.1 m-80 -102.87 -43.72 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.502 ' CG2' HD13 ' A' ' 20' ' ' LEU . 5.6 mt -56.22 133.69 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.429 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.78 -24.28 9.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.92 157.15 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 63' ' ' ILE . 38.6 t -127.09 134.43 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -128.75 127.02 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -107.32 133.34 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 30' ' ' SER . 2.2 tmtt? -124.84 83.73 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -46.51 174.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 166.49 29.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.48 -161.86 8.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.03 8.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.682 ' CG ' ' CD2' ' A' ' 7' ' ' LEU . 1.2 p-80 -113.74 -53.04 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.55 124.56 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.256 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.72 23.78 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.2 mt-30 -125.34 161.25 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -82.68 161.48 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' OE2' ' CD1' ' A' ' 41' ' ' ILE . 1.9 tt0 -149.06 106.13 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 28' ' ' VAL . 72.0 t -102.28 115.91 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' CD1' ' OE2' ' A' ' 39' ' ' GLU . 3.6 mp -119.42 118.37 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.81 143.45 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m -92.73 144.24 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -90.33 150.8 21.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -74.87 -3.37 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.51 -8.46 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.93 32.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.08 -172.59 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -145.54 144.79 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.62 112.11 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -70.63 139.46 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 108.337 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 23.9 mt -111.01 165.19 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -95.85 111.22 55.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 47.84 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -166.83 30.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -123.03 149.23 56.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.45 18.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 62' ' ' ILE . 20.3 tpp -96.29 -33.55 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 52' ' ' LEU . 3.3 t -65.55 -18.24 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 6.2 mmmm -95.13 3.26 54.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.1 mttm -118.92 -12.13 9.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' CG2' HD12 ' A' ' 20' ' ' LEU . 14.0 mt -94.45 -16.34 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 26' ' ' VAL . 15.5 mt -95.9 -56.74 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 71.6 mt-10 -51.6 -28.94 15.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.479 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -84.04 -32.17 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.498 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 2.4 mmm -63.49 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 67' ' ' LEU . 8.7 mp -71.12 -14.97 62.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -104.6 -23.74 13.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LYS . 26.3 t-20 61.71 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 146.25 -16.63 1.7 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -68.81 -171.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.92 95.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -110.65 72.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.419 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -107.02 168.2 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -134.35 -143.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.34 158.7 15.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -4.48 58.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 134.0 24.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.85 -18.23 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.97 169.36 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -150.26 165.61 32.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.513 ' CD1' ' CB ' ' B' ' 50' ' ' ALA . 4.0 mt -99.21 159.89 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -89.79 -14.03 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.53 99.5 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 9.7 mt -99.47 163.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.49 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -57.09 133.82 55.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.485 HD13 ' CG2' ' B' ' 23' ' ' ILE . 10.2 tp -79.86 1.75 25.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -69.69 -9.51 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.442 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 10.7 m-80 -112.2 -43.65 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.485 ' CG2' HD13 ' B' ' 20' ' ' LEU . 3.6 mt -52.36 133.36 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -25.47 8.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.18 164.83 34.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' B' ' 63' ' ' ILE . 42.4 t -126.83 143.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 19.5 tptt -132.15 120.71 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -114.67 116.21 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.25 97.65 5.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -56.85 176.46 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -74.99 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.54 -161.88 11.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.05 1.45 7.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -114.53 -49.57 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -114.63 118.1 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.295 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.41 24.17 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -129.43 159.22 36.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -81.28 158.69 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -140.87 81.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -80.4 126.35 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 mm -126.64 156.68 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.58 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -85.33 141.33 30.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -89.56 150.42 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -73.89 -4.99 38.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.456 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.36 -8.18 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.61 -8.83 34.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -83.11 -173.28 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -145.5 144.49 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.513 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -131.13 111.73 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.473 ' O ' ' CG ' ' B' ' 15' ' ' LEU . 1.3 m -68.79 139.37 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 19.9 mt -112.04 156.62 21.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -90.93 120.28 68.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.471 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.5 Cg_endo -74.96 1.06 8.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.9 10.6 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t -107.91 143.01 26.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -35.52 3.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -28.11 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' B' ' 52' ' ' LEU . 2.8 t -69.47 -14.48 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.3 OUTLIER -97.54 3.53 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 22.6 mttt -117.63 -15.52 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.427 HG21 ' CD1' ' B' ' 20' ' ' LEU . 16.7 mt -92.45 -16.45 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.463 HG12 ' CG1' ' B' ' 26' ' ' VAL . 46.3 mt -95.52 -54.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 58.2 mt-10 -58.03 -34.29 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.461 ' CD ' HD21 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.7 -29.28 62.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.474 ' HG2' ' CD1' ' B' ' 20' ' ' LEU . 2.0 mmm -66.27 -39.64 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 28' ' ' VAL . 8.6 mp -69.88 -15.9 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -102.64 -27.04 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 21.5 t-20 62.23 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -162.45 133.32 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.97 -69.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -179.11 100.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.13 83.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.6 mp -104.74 167.27 9.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.24 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -90.65 148.38 22.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -5.41 50.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 127.16 16.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mt -92.44 -20.15 21.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.505 ' O ' ' CG2' ' A' ' 14' ' ' THR . 1.6 tp60 -129.11 170.45 13.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 13' ' ' GLN . 10.1 p -158.83 165.65 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 51' ' ' CYS . 18.1 mt -99.07 175.83 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 4.0 tm0? -108.73 -15.37 14.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.12 102.23 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 2.0 mm -101.73 158.13 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -51.34 138.97 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 10.2 tp -85.1 7.95 19.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -85.48 -22.63 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . 7.1 m-80 -96.07 -39.86 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.3 mt -56.93 132.85 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -25.05 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 162.16 29.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.436 ' CG2' ' SD ' ' A' ' 66' ' ' MET . 48.3 t -124.38 135.81 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 25' ' ' SER . 11.2 tptm -125.09 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' B' ' 67' ' ' LEU . 18.2 t -109.75 116.62 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.48 82.03 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -42.43 162.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.54 -157.61 8.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -114.1 -56.1 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 43.0 t -103.68 117.59 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 24.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 3.9 mp0 -134.36 153.55 51.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.481 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 4.1 m -73.32 156.73 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -134.93 81.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -77.37 123.72 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mt -126.89 111.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.26 131.4 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -85.15 149.96 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' CD ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -73.92 -5.26 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.48 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.73 -9.49 34.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.8 mt-30 -82.96 -176.52 6.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -142.64 144.06 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . . . -134.55 109.65 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.75 138.11 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.7 mt -112.74 154.45 26.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -89.38 115.93 65.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.79 5.94 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -106.28 145.43 30.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -32.12 5.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.414 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.14 -19.2 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 21.0 t -84.24 -3.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.01 3.86 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -15.66 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 58' ' ' MET . 15.9 mt -92.91 -16.65 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 66' ' ' MET . 18.0 mt -94.85 -56.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.94 -25.09 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -89.1 -29.61 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.0 OUTLIER -54.95 -38.05 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 67' ' ' LEU . 5.8 mp -68.61 -14.23 62.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -105.13 -32.68 8.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.1 t30 61.33 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 176.56 -166.05 36.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.58 86.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 77.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.404 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.6 mp -107.64 167.9 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.54 -145.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.0 m -104.08 146.21 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -2.95 28.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 129.46 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.95 -15.23 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.86 169.42 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.418 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -154.7 165.38 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' B' ' 51' ' ' CYS . 6.9 mt -94.0 173.35 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' B' ' 16' ' ' GLN . 2.4 tm0? -111.72 -14.75 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.88 98.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.9 mm -103.61 161.13 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.46 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -56.27 131.11 47.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.481 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 1.5 tm? -87.84 15.48 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -95.21 -24.67 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.432 ' HB3' ' CD2' ' B' ' 44' ' ' LEU . 2.5 m-20 -91.41 -32.91 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.466 ' CG2' HD23 ' B' ' 20' ' ' LEU . 0.9 OUTLIER -56.71 135.6 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -25.3 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.73 162.82 39.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' B' ' 63' ' ' ILE . 24.2 t -125.22 130.2 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.0 tptp -123.86 122.06 37.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 76.0 t -115.7 124.95 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 90.0 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.7 OUTLIER -50.71 -179.76 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.3 Cg_endo -74.98 -175.13 2.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.49 -157.53 9.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PRO . . . . . 0.649 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.99 1.49 7.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -120.1 -60.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.8 OUTLIER -97.54 116.78 30.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.261 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.22 24.65 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 31' ' ' PRO . 48.1 mm-40 -118.14 -129.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -151.97 160.81 43.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 38' ' ' THR . 1.9 tp10 -141.94 102.2 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 74.5 t -104.23 116.08 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 mp -125.67 126.25 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.2 135.82 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.5 m -84.5 141.09 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -89.38 150.35 22.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.5 OUTLIER -73.68 -4.78 36.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.38 -8.93 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.14 -7.86 32.97 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.452 1.095 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -84.36 -172.81 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -146.47 145.0 30.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.458 ' CB ' ' CD1' ' B' ' 15' ' ' LEU . . . -130.49 110.09 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -69.58 137.03 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.2 mt -110.84 164.19 13.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -103.33 116.6 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.472 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.28 11.71 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 21.3 t -116.61 144.23 32.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.13 10.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.431 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 0.4 OUTLIER -75.41 -22.05 57.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -81.06 -11.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.61 3.57 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -117.6 -15.55 10.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' B' ' 58' ' ' MET . 16.1 mt -90.71 -17.91 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ILE . . . . . 0.44 HG12 ' CG1' ' B' ' 26' ' ' VAL . 16.2 mt -92.55 -57.8 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.78 -36.33 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -69.87 -38.51 76.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' B' ' 20' ' ' LEU . 1.7 mmm -56.04 -41.33 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.483 ' CD1' HG12 ' A' ' 28' ' ' VAL . 6.6 mp -66.07 -15.81 63.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 3.9 mtmt -101.4 -23.75 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t30 61.96 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -97.39 157.34 20.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -77.55 -171.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 p -173.57 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 m -93.86 152.19 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.43 7.31 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.1 115.03 19.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 108.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.36 -25.86 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' THR . 4.8 tt0 -134.83 178.35 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.0 p -158.56 159.73 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.052 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mt -122.05 134.71 54.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.5 tt0 -102.55 68.33 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.49 104.69 2.9 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 15' ' ' LEU . 4.9 mm -131.52 159.79 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.9 135.17 49.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.644 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.9 tp -85.11 8.77 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -90.74 -24.04 20.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 44' ' ' LEU . 2.0 m-20 -91.31 -40.75 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.49 127.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.65 -19.14 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.06 156.63 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -128.56 133.05 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.58 123.68 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.823 HG11 ' CD1' ' B' ' 67' ' ' LEU . 25.6 t -116.15 117.27 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 91.42 3.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.464 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -48.29 173.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.39 -160.36 8.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -111.54 -52.97 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.639 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.59 124.7 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.12 24.17 3.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.31 157.81 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 17.1 m -82.47 161.87 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -146.61 79.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.738 HG11 HD11 ' A' ' 63' ' ' ILE . 84.6 t -72.79 122.08 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.2 mt -122.61 116.94 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.72 140.06 41.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -88.21 140.43 29.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -87.45 153.28 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.591 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -77.05 -0.6 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.83 -8.13 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.08 -4.97 33.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -88.39 -172.25 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -144.68 145.4 31.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.052 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.08 111.66 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' LEU . 7.1 m -70.35 137.36 50.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.7 mt -105.08 164.04 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' HG11 ' A' ' 59' ' ' VAL . 26.4 t30 -97.85 110.19 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 48.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.49 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 t -126.09 147.31 58.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -93.5 -25.49 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.738 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.7 t -71.74 -15.4 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 4.14 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -116.86 -15.35 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -16.87 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.9 mt -93.77 -55.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -52.7 -36.27 56.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 2.9 mtmt -70.62 -38.87 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.702 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.6 mmm -55.64 -38.06 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.789 HD12 HG11 ' B' ' 28' ' ' VAL . 8.1 mp -67.47 -16.5 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.4 mptt -100.68 -28.81 12.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 20.3 t30 62.03 -78.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.6 m -91.46 156.4 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -5.21 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 126.91 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 -21.59 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.58 169.35 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -149.57 165.68 31.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.032 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 20.1 mt -97.55 161.25 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 9.2 tt0 -93.33 -12.26 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.96 98.0 0.49 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.4 mt -100.21 163.19 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.492 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -51.66 135.13 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.986 HD11 ' HG2' ' B' ' 66' ' ' MET . 34.8 tp -84.01 7.24 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -81.28 -19.25 43.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.548 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.0 m-20 -97.74 -40.94 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.723 ' HB ' HD12 ' B' ' 20' ' ' LEU . 2.7 mt -57.77 128.81 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -20.23 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.36 154.5 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 1.023 HG11 HG12 ' B' ' 63' ' ' ILE . 37.3 t -128.9 132.0 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.76 126.82 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 40' ' ' VAL . 2.2 t -113.29 124.73 70.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -123.83 86.13 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -46.71 173.51 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -74.99 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.06 -157.59 8.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.99 0.85 8.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.9 p-80 -116.59 -58.19 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 44.1 t -101.71 114.53 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.54 24.4 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 8.9 mm100 -134.18 155.53 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.2 m -82.3 156.3 24.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.86 96.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 28' ' ' VAL . 64.1 t -86.25 127.61 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -125.38 116.83 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.65 145.16 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -93.95 131.99 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -78.69 150.5 32.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.513 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.65 -3.83 33.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.2 -8.75 24.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.96 -6.92 32.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -86.37 -172.55 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -144.24 144.54 31.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 1.032 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -136.33 114.94 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.17 143.05 43.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.6 mt -111.56 165.7 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.808 ' O ' HG21 ' B' ' 59' ' ' VAL . 6.3 t-20 -97.67 118.03 64.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.92 1.77 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.67 21.84 15.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.513 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 6.0 t -119.4 140.43 29.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -10.06 20.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.528 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -90.6 -13.6 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.808 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.6 t -81.3 -17.39 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -93.74 3.41 55.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -16.18 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.747 HG23 HD13 ' B' ' 20' ' ' LEU . 17.7 mt -90.28 -16.93 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 1.023 HG12 HG11 ' B' ' 26' ' ' VAL . 16.5 mt -93.23 -58.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -50.35 -33.87 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.9 OUTLIER -73.95 -37.63 64.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.986 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.1 mmm -59.96 -42.69 94.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.823 ' CD1' HG11 ' A' ' 28' ' ' VAL . 10.1 mp -67.14 -15.6 63.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -101.78 -26.6 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 65' ' ' LYS . 8.2 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -91.98 147.71 22.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -5.32 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 134.67 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.25 -14.98 16.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -135.3 166.81 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -151.96 164.64 36.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.928 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 mt -94.86 -179.6 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -113.82 -16.12 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.02 100.39 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 23' ' ' ILE . 7.1 mm -96.29 161.86 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.37 138.81 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.9 tp -77.19 -0.63 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -85.52 -12.79 50.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.6 m-20 -104.57 -46.22 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD12 HG22 ' A' ' 18' ' ' ILE . 1.3 mt -59.52 132.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 -14.97 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.48 161.72 30.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 63' ' ' ILE . 75.3 t -128.4 142.99 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -140.07 126.59 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.727 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.5 t -115.91 100.7 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.1 82.76 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' ' HE1' ' B' ' 66' ' ' MET . 0.6 OUTLIER -45.44 170.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -74.95 178.42 7.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.13 -157.69 8.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -117.53 -56.57 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.0 t -103.11 116.93 33.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.79 24.28 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 26.1 mm-40 -137.21 152.4 49.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m -78.46 165.15 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -155.9 83.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 28' ' ' VAL . 64.1 t -68.08 128.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mt -128.99 108.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -98.71 141.21 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -88.42 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.39 149.7 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -3.29 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.01 -9.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.5 -8.84 30.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -85.25 -170.85 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -145.1 145.18 31.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.58 111.81 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.713 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -71.87 139.12 48.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 15' ' ' LEU . 12.9 mt -112.53 160.44 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.06 118.73 66.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.46 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.45 14.48 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 t -114.99 145.41 33.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -41.43 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -24.05 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 63' ' ' ILE . 17.0 t -76.3 -2.67 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.29 3.11 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -16.23 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -90.35 -16.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 59' ' ' VAL . 17.2 mt -93.53 -57.31 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -53.04 -33.21 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 11.6 mttp -73.99 -35.88 64.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.626 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.5 mmm -58.01 -37.39 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.8 mp -70.06 -15.38 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.77 -28.65 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.7 t-20 61.6 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 46.1 m -98.11 169.85 9.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -101.82 -5.29 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.66 135.83 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -15.98 17.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.457 ' O ' HG23 ' B' ' 14' ' ' THR . 0.6 OUTLIER -135.43 169.07 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.457 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.0 OUTLIER -152.63 165.41 35.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.777 HD12 ' HB1' ' B' ' 50' ' ' ALA . 95.7 mt -103.65 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.6 -13.03 52.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.09 99.74 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.77 ' CG1' HD13 ' B' ' 15' ' ' LEU . 4.7 mm -78.74 154.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.8 138.56 10.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.495 HD11 ' HG2' ' B' ' 66' ' ' MET . 47.4 tp -83.01 5.69 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -23.1 20.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.489 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.8 m-20 -94.1 -49.32 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -47.11 128.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.71 -25.03 9.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.5 OUTLIER -147.13 159.81 43.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' B' ' 66' ' ' MET . 25.6 t -127.42 133.44 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 17.9 tptp -126.79 120.7 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.547 HG11 ' CD1' ' A' ' 67' ' ' LEU . 22.3 t -113.77 118.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.69 90.94 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.6 OUTLIER -56.01 171.13 0.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.98 170.8 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.84 -160.72 8.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.57 7.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.14 -53.37 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.32 123.12 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.38 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 22.0 mm-40 -126.09 153.1 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -81.34 158.42 24.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.56 81.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.815 ' O ' HD13 ' B' ' 41' ' ' ILE . 60.3 t -79.88 124.48 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.815 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.3 mm -126.41 152.93 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -141.69 129.63 21.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.8 m -81.62 139.48 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.505 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -87.92 149.97 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.505 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.62 -4.97 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -98.2 -8.34 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.36 -5.91 35.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.1 -172.9 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 145.03 31.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.777 ' HB1' HD12 ' B' ' 15' ' ' LEU . . . -131.53 111.84 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.18 136.62 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 23.5 mt -110.85 158.83 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.469 HD21 ' HB3' ' B' ' 55' ' ' ALA . 66.2 t30 -93.08 120.07 67.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.494 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.469 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -106.16 15.01 26.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.0 t -114.53 144.49 31.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.667 ' HG3' HD11 ' B' ' 62' ' ' ILE . 32.9 tpp -59.06 -26.73 64.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.739 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -70.02 -16.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 3.9 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -116.62 -15.98 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.667 HD11 ' HG3' ' B' ' 58' ' ' MET . 15.3 mt -93.31 -16.57 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.739 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.0 mt -93.68 -55.57 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -53.12 -35.8 60.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 69' ' ' ASN . 10.5 mmtt -71.11 -36.78 72.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.706 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.5 mmm -59.8 -38.94 83.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.727 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -69.44 -15.6 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.33 -23.64 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.6 t30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.6 m -96.8 161.48 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.44 -3.03 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 133.05 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.53 -15.5 18.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -134.69 169.85 16.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.9 p -153.74 165.17 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.901 HD13 HD13 ' A' ' 18' ' ' ILE . 4.0 mt -104.09 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -97.03 -14.74 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.52 102.63 0.96 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.901 HD13 HD13 ' A' ' 15' ' ' LEU . 3.9 mp -95.29 163.89 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -43.97 136.95 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.605 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.71 12.57 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -89.97 -22.19 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.3 m-20 -94.67 -39.84 10.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.9 mt -55.42 133.95 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -111.08 -23.56 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.47 161.32 35.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.994 HG11 HG12 ' A' ' 63' ' ' ILE . 41.0 t -131.45 136.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -129.54 126.6 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.914 HG11 ' HG ' ' B' ' 67' ' ' LEU . 53.8 t -114.67 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 86.2 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -47.32 171.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.02 171.92 17.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 -161.75 9.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.49 7.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -112.82 -51.37 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.647 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 126.13 54.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.25 23.98 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 34.3 mm-40 -130.18 156.26 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.7 m -83.26 162.52 21.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -144.96 79.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' A' ' 28' ' ' VAL . 55.4 t -73.27 114.64 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.18 117.23 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.26 143.7 36.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -91.87 139.77 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -87.54 150.51 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.35 -3.95 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -99.8 -7.69 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.94 -5.2 36.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -87.36 -172.7 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -145.66 145.58 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.79 113.52 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.22 138.54 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 27.9 mt -109.57 165.46 11.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 60.1 t30 -92.27 112.29 54.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 48.17 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.93 32.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.8 151.99 58.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.15 10.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.562 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -82.88 -17.93 42.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.697 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.9 t -78.38 -9.77 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -101.99 2.62 38.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 -14.93 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.836 HG23 HD23 ' A' ' 20' ' ' LEU . 12.5 mt -90.69 -17.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.994 HG12 HG11 ' A' ' 26' ' ' VAL . 15.9 mt -93.85 -57.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -53.21 -29.98 35.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -34.85 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.863 ' HG2' HD21 ' A' ' 20' ' ' LEU . 2.5 mmm -62.0 -35.28 78.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 63' ' ' ILE . 9.0 mp -71.41 -16.01 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -102.94 -31.28 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.2 t30 61.75 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m -100.38 151.33 21.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -3.73 49.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 131.74 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -93.94 -17.76 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.509 ' O ' HG23 ' B' ' 14' ' ' THR . 0.7 OUTLIER -134.22 170.81 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -154.7 165.12 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.022 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 3.8 mt -97.87 176.61 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' B' ' 16' ' ' GLN . 4.4 tp60 -110.77 -13.37 14.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.27 96.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' B' ' 18' ' ' ILE . 4.1 mm -91.74 162.36 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.48 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -58.63 137.41 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' B' ' 66' ' ' MET . 48.2 tp -86.59 10.58 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -92.82 -13.03 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.591 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.1 m-20 -103.87 -49.1 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.805 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.8 OUTLIER -45.97 129.25 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.05 -25.05 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -147.49 163.05 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.743 HG11 HG23 ' B' ' 63' ' ' ILE . 25.2 t -131.82 132.46 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.9 tptp -125.51 120.5 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -111.6 115.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -116.2 87.4 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.474 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.2 p -48.84 167.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.77 -160.78 9.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.595 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.595 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.11 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.07 48.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.41 24.5 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.414 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 6.9 mm100 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 28.7 m -75.72 163.56 27.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 9' ' ' CYS . 0.4 OUTLIER -139.98 83.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.803 HG11 HD11 ' B' ' 63' ' ' ILE . 97.1 t -81.27 122.17 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.6 mt -125.22 111.7 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.805 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -100.48 130.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.9 m -81.95 144.26 31.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -93.17 149.94 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.515 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.51 -4.8 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.96 -10.3 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.02 -12.44 29.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 30.2 mt-30 -82.86 -175.18 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -143.61 145.83 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 1.022 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.92 110.04 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.661 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -67.63 138.28 56.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' B' ' 15' ' ' LEU . 25.1 mt -110.65 165.29 11.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.445 ' H ' HG21 ' B' ' 59' ' ' VAL . 51.0 t30 -100.52 116.72 64.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.08 1.02 8.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.21 4.56 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -109.82 147.84 36.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.05 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.59 -20.55 48.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.758 ' O ' HD12 ' B' ' 63' ' ' ILE . 35.3 t -82.84 -3.51 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -107.38 3.55 25.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -15.68 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.545 HD12 ' O ' ' B' ' 58' ' ' MET . 15.3 mt -92.47 -16.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.803 HD11 HG11 ' B' ' 40' ' ' VAL . 44.0 mt -93.63 -55.68 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.06 -35.47 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.6 OUTLIER -70.8 -35.82 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.77 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.4 tmm? -57.91 -38.14 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.914 ' HG ' HG11 ' A' ' 28' ' ' VAL . 7.6 mp -69.51 -15.23 63.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 1.9 ttmt -103.64 -26.63 12.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 9.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 35.6 m -94.65 154.5 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 5.74 50.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.74 114.46 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.08 -25.82 23.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.624 ' O ' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -135.42 178.46 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.4 p -158.66 160.32 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.108 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -117.96 139.9 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.7 tt0 -98.97 66.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD11 ' A' ' 62' ' ' ILE . . . 93.53 98.71 1.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 HG13 HD13 ' A' ' 15' ' ' LEU . 2.3 mm -118.79 155.05 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.06 132.93 55.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.56 HD11 ' HG2' ' A' ' 66' ' ' MET . 8.9 tp -86.82 13.35 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -89.88 -17.44 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' CG ' HD21 ' A' ' 44' ' ' LEU . 6.5 m-20 -98.77 -39.97 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -57.55 129.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -25.1 8.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.455 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.96 164.87 29.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 29.5 t -131.47 134.98 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' B' ' 27' ' ' LYS . 8.6 tptt -131.47 120.99 23.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.675 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.4 t -113.11 121.65 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -124.07 87.05 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -48.17 176.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -74.96 174.83 12.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.49 -162.87 10.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -112.71 -49.63 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 120.4 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.03 24.07 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 18.6 mm-40 -126.12 160.34 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 32.6 m -76.49 161.88 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -144.76 78.12 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.58 124.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.3 mt -128.11 119.32 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -108.72 132.68 53.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 17.1 m -82.89 145.52 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -93.84 150.75 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.538 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.98 -4.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.9 -9.14 24.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.88 -11.81 32.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -82.48 -172.93 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -144.64 145.29 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.108 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.43 110.59 11.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.4 m -67.61 140.25 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.596 ' HB3' HG22 ' A' ' 59' ' ' VAL . 50.8 mt -104.27 165.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.741 ' O ' HG21 ' A' ' 59' ' ' VAL . 12.9 t30 -98.79 109.05 52.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 45.84 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.97 25.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 44.0 t -128.78 145.12 55.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.606 ' O ' HD12 ' A' ' 62' ' ' ILE . 4.5 tpp -101.71 -16.16 16.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 53' ' ' ASN . 3.1 t -80.23 -20.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.7 3.79 54.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.22 -16.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 58' ' ' MET . 20.2 mt -91.32 -17.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.8 mt -92.5 -58.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -48.49 -35.95 14.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.2 mmtt -71.93 -38.08 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.56 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.1 mmm -57.57 -39.71 77.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' B' ' 28' ' ' VAL . 6.5 mp -68.08 -15.58 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.29 -30.32 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t-20 61.73 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 64.3 m -101.73 145.88 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -81.07 -2.27 47.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 137.0 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.06 -15.13 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -135.16 168.17 19.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.4 p -152.5 163.94 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.872 HD13 HG13 ' B' ' 18' ' ' ILE . 10.2 mt -95.19 -177.44 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -112.6 -13.71 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.63 101.38 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.872 HG13 HD13 ' B' ' 15' ' ' LEU . 2.5 mm -97.56 159.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.749 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.482 ' CG ' ' HD3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -61.88 145.82 51.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' B' ' 66' ' ' MET . 12.1 tp -85.48 7.61 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -88.84 -20.93 24.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.436 ' OD1' HD21 ' B' ' 44' ' ' LEU . 8.3 m-20 -98.2 -49.59 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.619 HD12 HG22 ' B' ' 18' ' ' ILE . 1.5 mt -55.45 128.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -18.06 11.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.77 158.9 42.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' B' ' 66' ' ' MET . 26.0 t -129.25 133.07 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.19 125.62 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 40' ' ' VAL . 45.8 t -118.51 104.44 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.06 87.31 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -52.74 169.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.48 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -75.01 168.5 24.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.55 -156.9 7.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.629 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 2.89 6.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.629 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.2 p-80 -113.23 -53.94 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 128.19 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.346 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' B' ' 37' ' ' GLN . . . -97.35 23.13 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.48 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 2.9 mt-30 -131.33 158.3 41.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -89.75 162.35 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -155.09 95.56 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 28' ' ' VAL . 93.2 t -82.07 123.0 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.39 107.44 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.18 138.57 36.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -86.46 135.71 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.521 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -83.04 150.46 26.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.521 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.51 -3.5 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.08 -8.28 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.12 -9.87 33.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.07 -172.56 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -144.21 144.72 31.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.82 114.15 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -74.86 138.93 42.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 15' ' ' LEU . 21.1 mt -111.81 161.26 16.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.486 ' O ' HG11 ' B' ' 59' ' ' VAL . 51.2 t30 -95.88 118.56 65.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.4 8.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.02 1.65 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.424 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 15.0 t -99.58 143.41 26.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.0 Cg_endo -75.05 -29.79 7.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -20.68 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.4 t -78.92 -5.13 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 3.19 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -15.9 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 16.4 mt -91.71 -16.47 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.785 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.1 mt -93.97 -54.64 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.32 -34.05 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 9.8 mmtp -72.9 -33.71 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.712 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.0 OUTLIER -59.18 -37.67 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.675 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.4 mp -69.06 -15.37 63.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.45 -29.99 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 25.0 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.1 m -97.1 169.26 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.335 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -1.86 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 119.82 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.59 -14.89 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -127.8 173.32 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -158.45 165.72 33.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.096 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.3 mt -104.89 -178.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -90.39 -13.16 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 148.24 -31.97 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.967 HG13 HD13 ' A' ' 15' ' ' LEU . 16.1 mm 55.6 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -72.3 141.25 48.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 66' ' ' MET . 7.8 tp -81.28 -0.33 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -86.95 -8.44 57.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.538 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.4 m-20 -108.33 -38.86 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.7 132.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.49 -25.11 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -148.03 157.05 43.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.711 HG11 HG12 ' A' ' 63' ' ' ILE . 39.5 t -127.59 136.11 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -132.45 125.64 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.754 HG21 ' HG ' ' B' ' 67' ' ' LEU . 0.5 OUTLIER -113.65 125.5 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 87.68 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -53.97 174.84 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.99 176.58 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.34 -160.93 9.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.25 7.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.47 -49.28 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 124.32 51.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.58 24.68 6.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 8.7 mm-40 -128.4 162.16 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 39' ' ' GLU . 24.6 m -90.35 172.78 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 8.0 pt-20 -168.91 113.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' CYS . 58.5 t -102.82 127.73 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.36 108.91 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.64 137.65 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 19.4 m -86.37 135.9 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -82.18 149.46 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.31 -2.68 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.46 -8.63 22.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.43 -1.17 34.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -91.62 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.733 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -144.08 144.93 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.096 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -140.08 117.43 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.74 146.06 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.75 HD22 ' HA2' ' A' ' 17' ' ' GLY . 14.9 mt -112.19 163.79 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.769 ' O ' HG21 ' A' ' 59' ' ' VAL . 8.2 t-20 -92.37 117.1 67.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.37 11.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.57 17.21 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 11.1 t -119.25 140.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.2 8.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -20.34 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.1 t -70.45 -18.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.13 3.97 54.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -114.34 -16.61 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.513 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.4 mt -94.64 -16.67 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.711 HG12 HG11 ' A' ' 26' ' ' VAL . 27.1 mt -93.85 -55.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.33 -36.12 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.9 mttm -73.17 -32.7 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.706 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.62 -38.31 87.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.671 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.1 -15.63 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -102.75 -30.36 10.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 61.62 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 55.5 m -93.55 146.91 23.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -5.1 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 136.6 26.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -104.15 -15.99 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.577 ' O ' HG23 ' B' ' 14' ' ' THR . 1.0 OUTLIER -134.62 172.57 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.577 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.9 165.91 34.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.086 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 9.7 mt -105.11 174.73 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -86.48 -11.98 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.671 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.1 -40.46 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.972 HD12 HD13 ' B' ' 15' ' ' LEU . 3.7 mt 55.45 164.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.508 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -60.99 150.44 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.95 HD13 ' O ' ' B' ' 20' ' ' LEU . 2.3 tm? -98.18 9.21 43.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -87.48 -21.28 25.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.465 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.9 m-20 -95.42 -36.24 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.734 ' HB ' HD22 ' B' ' 20' ' ' LEU . 2.3 mt -59.12 132.96 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.65 -25.28 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.43 164.07 38.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.538 HG11 HG12 ' B' ' 63' ' ' ILE . 26.1 t -127.95 131.73 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 11.0 tptm -123.72 118.92 28.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.671 HG11 ' CD1' ' A' ' 67' ' ' LEU . 70.5 t -110.22 121.5 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.4 OUTLIER -120.79 81.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.438 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -43.63 167.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -75.03 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.811 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.86 -158.32 7.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 1.51 7.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -112.45 -53.0 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 53.3 t -112.63 119.36 37.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 24.05 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.5 mp0 -129.77 153.7 47.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 6.2 m -77.78 157.37 30.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.68 87.63 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.08 126.2 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.7 mp -124.94 111.98 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.606 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -99.34 129.42 45.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -80.32 145.05 32.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -93.62 150.63 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.19 -4.42 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.34 -9.43 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.84 -12.73 29.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -81.13 -173.7 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -146.23 145.06 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 1.086 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.07 112.24 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -66.39 140.31 58.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.671 HD22 ' HA2' ' B' ' 17' ' ' GLY . 26.4 mt -111.34 164.24 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' HG21 ' B' ' 59' ' ' VAL . 56.7 t30 -97.97 116.75 65.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.479 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.05 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.4 t -110.6 143.6 28.51 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.84 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.62 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -80.81 -19.82 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' B' ' 63' ' ' ILE . 43.3 t -82.08 -4.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -107.75 3.61 24.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -14.88 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD23 ' B' ' 20' ' ' LEU . 15.4 mt -92.81 -16.48 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.795 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.2 mt -94.87 -54.82 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -54.04 -35.09 61.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.11 -36.27 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.833 ' HG2' HD21 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -56.34 -37.38 69.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.754 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.1 mp -68.7 -15.64 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -102.45 -29.16 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.8 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -97.98 164.6 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -4.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 129.77 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.37 -15.87 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -131.35 168.44 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.3 p -153.95 165.53 35.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 53.7 mt -96.31 -179.27 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.52 -14.3 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.91 100.53 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -99.94 163.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.2 t-160 -53.73 136.17 40.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.96 HD11 ' HG2' ' A' ' 66' ' ' MET . 44.4 tp -84.19 9.28 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.57 -15.3 49.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.542 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.9 m-80 -102.59 -42.47 5.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.667 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -54.06 130.94 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -24.99 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.01 164.9 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 HG12 ' A' ' 63' ' ' ILE . 30.2 t -130.47 134.81 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 10.2 tptm -127.98 119.92 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.735 HG11 ' HG ' ' B' ' 67' ' ' LEU . 68.9 t -111.73 113.72 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 82.12 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.95 172.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 165.79 30.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.23 -160.8 8.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.56 -53.03 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.19 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.56 24.08 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -128.41 157.28 41.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 57.9 m -80.27 165.46 22.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -153.8 83.08 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG11 HD11 ' A' ' 63' ' ' ILE . 57.3 t -79.48 126.12 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.46 115.17 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -101.09 135.0 43.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -86.36 139.18 31.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -86.46 150.24 24.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.1 -4.78 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.73 -8.59 25.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.93 -11.85 32.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -81.75 -173.91 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -146.77 145.0 29.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.878 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -130.51 110.04 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -68.1 136.62 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.6 mt -111.56 166.03 11.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 59' ' ' VAL . 64.7 t30 -101.02 121.22 52.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 0.51 8.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.49 11.82 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 35.9 t -108.95 146.74 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.863 ' O ' HD12 ' A' ' 63' ' ' ILE . 39.1 t -71.87 -8.35 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 3.29 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -118.58 -15.77 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 20' ' ' LEU . 14.8 mt -92.18 -16.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.6 mt -93.7 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.37 -35.48 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ASN . 2.6 mtpm? -71.24 -35.22 71.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.96 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -56.7 -41.04 76.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.691 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -66.35 -15.5 63.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.18 -32.47 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LYS . 19.8 t-20 61.4 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.65 167.52 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -2.91 34.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.58 139.37 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.54 -13.86 14.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' HG23 ' B' ' 14' ' ' THR . 10.8 tt0 -132.61 166.15 22.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -151.95 165.06 35.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.453 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.732 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.5 mt -110.17 169.26 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -84.68 -14.7 47.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.686 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 133.59 103.92 0.84 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.58 HD12 ' CB ' ' B' ' 50' ' ' ALA . 8.3 mt -80.73 157.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.408 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -52.57 149.4 5.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' B' ' 66' ' ' MET . 15.2 tp -87.1 10.92 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CE ' ' B' ' 21' ' ' LYS . 0.1 OUTLIER -91.28 -18.74 23.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.418 ' OD1' HD21 ' B' ' 44' ' ' LEU . 5.9 m-80 -102.05 -49.97 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -48.35 131.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 -25.14 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.428 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.9 OUTLIER -155.05 164.73 38.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' B' ' 66' ' ' MET . 24.8 t -125.98 130.27 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 41' ' ' ILE . 13.6 tptt -121.26 120.28 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.691 HG11 HD12 ' A' ' 67' ' ' LEU . 55.5 t -109.66 119.75 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 30' ' ' SER . 5.5 tmtt? -118.69 78.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.442 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -46.46 172.37 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.04 170.18 20.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.93 -158.01 7.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.652 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.1 p-80 -113.52 -56.86 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 123.09 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 108.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.86 24.59 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 26.7 mm-40 -131.0 160.04 35.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 39' ' ' GLU . 84.9 m -86.38 169.46 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -163.98 86.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.661 HG11 HD11 ' B' ' 63' ' ' ILE . 15.1 t -74.72 137.14 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.9 mp -130.09 108.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.1 128.33 40.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -79.59 141.56 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.546 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.51 150.91 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.546 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.69 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -98.51 -8.95 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.66 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 65.1 mt-30 -84.48 -175.17 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.3 mptt -143.45 144.96 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.732 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.45 109.72 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.93 137.28 57.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.686 HD22 ' HA2' ' B' ' 17' ' ' GLY . 21.6 mt -110.59 164.58 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.461 ' O ' HG21 ' B' ' 59' ' ' VAL . 64.2 t30 -96.06 119.13 65.11 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.74 12.99 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 29.6 t -110.87 143.86 29.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.83 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.754 ' HG2' HD11 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -63.1 -26.2 68.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.769 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.4 t -68.67 -17.35 21.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -96.84 3.67 52.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -116.4 -15.55 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.754 HD11 ' HG2' ' B' ' 58' ' ' MET . 13.8 mt -94.84 -16.46 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.769 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.7 mt -94.86 -53.65 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 44.0 mt-10 -55.91 -34.04 65.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.4 OUTLIER -76.85 -30.47 56.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.709 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.7 mmm -60.82 -36.32 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.735 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.3 mp -70.32 -15.29 62.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.67 -32.44 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' LYS . 18.2 t-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.6 161.95 13.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.353 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.61 -1.63 58.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 133.9 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.92 -16.62 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 tt0 -131.59 169.31 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.8 p -153.94 164.85 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.973 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.1 mt -95.06 177.37 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -112.69 -12.85 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.37 99.19 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.585 ' CG1' HD13 ' A' ' 15' ' ' LEU . 4.7 mm -98.95 157.46 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -57.59 139.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.0 tp -86.99 12.29 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -91.64 -20.55 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.482 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.4 m-20 -97.23 -42.54 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.9 mt -55.19 129.97 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.6 -22.11 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.442 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -153.05 163.61 39.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.693 HG23 ' HG3' ' A' ' 66' ' ' MET . 24.5 t -127.93 133.34 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -123.22 123.84 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.724 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.8 t -116.17 119.53 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 89.42 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -52.89 171.6 0.22 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.1 Cg_endo -75.08 162.0 37.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.44 8.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.62 7.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -116.03 -54.73 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.43 123.25 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.32 24.4 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 22.8 mt-30 -130.62 158.94 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 6.2 m -81.21 158.14 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.561 ' OE2' HD11 ' A' ' 41' ' ' ILE . 4.4 tt0 -145.26 95.66 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HD11 ' A' ' 63' ' ' ILE . 62.7 t -90.05 126.21 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.561 HD11 ' OE2' ' A' ' 39' ' ' GLU . 1.6 mp -127.9 109.44 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -97.74 136.42 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.7 m -86.62 142.53 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.86 150.41 21.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.25 33.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.65 -8.91 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.93 -8.44 33.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -84.57 -173.05 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -145.78 144.94 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.973 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.06 110.88 11.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.75 138.26 52.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 108.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.7 mt -112.52 165.63 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 62.5 t30 -100.52 118.98 59.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.03 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.06 1.35 42.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.5 t -101.31 145.45 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.86 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -26.93 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.787 ' O ' HD12 ' A' ' 63' ' ' ILE . 18.4 t -70.43 -12.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.3 mmmm -98.93 4.04 47.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -116.49 -16.0 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mt -93.86 -16.52 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 59' ' ' VAL . 14.6 mt -93.54 -54.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 56.1 mt-10 -54.7 -35.89 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -71.28 -35.51 71.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.693 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.4 mmm -59.38 -37.88 79.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.13 -15.29 63.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.79 -33.78 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.3 t-20 61.91 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' B' ' 8' ' ' ARG . 1.6 mtp-105 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 60.7 m -98.73 142.15 30.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.84 5.87 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.85 114.63 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -89.96 -25.5 20.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.56 ' O ' HG23 ' B' ' 14' ' ' THR . 2.9 tm0? -135.4 177.31 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.51 159.59 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.92 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 7.4 mt -123.05 152.83 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.8 tm0? -70.02 -15.26 62.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.19 104.63 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.665 HD12 HD13 ' B' ' 15' ' ' LEU . 6.7 mt -93.96 163.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.8 OUTLIER -54.91 126.59 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -55.86 -18.57 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -23.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' B' ' 20' ' ' LEU . 13.4 m-80 -99.81 -48.23 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.03 129.49 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -114.7 -17.99 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.447 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -157.15 154.88 30.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.96 HG11 HG12 ' B' ' 63' ' ' ILE . 50.7 t -127.39 136.4 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.479 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.29 124.91 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 67' ' ' LEU . 2.4 t -104.81 124.23 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.51 83.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -49.14 170.61 0.13 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 166.29 29.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.97 -159.75 8.03 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.597 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.57 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.597 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.71 -56.03 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 0.1 OUTLIER -108.39 124.31 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.8 24.12 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.427 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.6 mm-40 -126.78 162.32 26.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' B' ' 39' ' ' GLU . 23.8 m -80.37 162.7 24.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' B' ' 38' ' ' THR . 2.4 mp0 -148.85 92.75 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.402 HG22 HG22 ' B' ' 28' ' ' VAL . 95.6 t -90.25 117.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.16 112.74 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.67 137.47 39.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -88.14 140.55 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.507 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -89.29 150.18 22.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.507 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.7 -5.02 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -98.37 -8.3 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.02 -8.28 36.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -84.66 -173.37 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -144.69 144.76 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.92 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.26 113.16 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 13' ' ' GLN . 7.7 m -68.72 138.09 54.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 mt -106.08 162.77 13.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG21 ' B' ' 59' ' ' VAL . 39.1 t30 -93.12 111.92 53.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 48.13 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.34 31.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -122.4 148.47 52.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.4 18.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 tpp -90.26 -25.96 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.621 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -70.53 -16.2 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -95.54 3.78 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -117.9 -16.69 9.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.81 -16.66 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.96 HG12 HG11 ' B' ' 26' ' ' VAL . 15.9 mt -94.02 -57.15 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.91 -33.38 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -26.49 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.624 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -69.48 -37.59 77.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.724 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.8 mp -72.03 -15.64 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.64 -31.31 9.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 65' ' ' LYS . 16.0 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.5 m -98.62 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.22 -3.51 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 134.79 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.11 -16.26 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' THR . 4.9 tt0 -134.65 170.56 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -154.77 165.14 37.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.974 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 11.0 mt -99.06 176.03 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -100.12 -12.9 19.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.13 97.47 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 13.9 mt -96.05 162.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -49.17 138.26 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 24.7 tp -74.54 -2.75 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -72.59 -7.14 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.697 ' O ' HD23 ' A' ' 44' ' ' LEU . 5.4 m-80 -112.37 -31.68 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' HB ' HD12 ' A' ' 20' ' ' LEU . 3.0 mt -76.42 129.96 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.94 -22.7 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.9 160.67 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.769 HG11 HG12 ' A' ' 63' ' ' ILE . 79.4 t -134.62 142.4 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -144.29 124.79 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.812 HG11 ' HG ' ' B' ' 67' ' ' LEU . 77.8 t -113.96 127.83 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -122.67 91.1 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -50.31 174.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.3 Cg_endo -74.97 178.18 7.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.22 -161.64 10.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.95 1.5 7.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -114.67 -46.91 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.52 125.25 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.0 24.76 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 20.7 mt-30 -129.75 159.97 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -89.17 163.21 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 41' ' ' ILE . 7.6 pt-20 -154.71 115.34 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 28' ' ' VAL . 88.2 t -106.19 123.49 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' HG3' ' A' ' 39' ' ' GLU . 1.5 mp -120.37 121.78 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.35 140.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -90.53 131.95 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.58 148.87 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.35 -2.41 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.527 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.3 -9.06 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.72 31.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.39 -171.62 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -144.74 144.97 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.974 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.0 113.79 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.28 138.86 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.4 mt -113.26 159.61 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -93.54 121.23 65.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.69 11.91 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -103.64 141.32 22.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.9 7.73 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 tpp -76.58 -25.13 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 63' ' ' ILE . 6.1 t -70.95 -14.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -95.9 3.3 53.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -115.27 -15.27 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 20' ' ' LEU . 12.9 mt -95.72 -16.28 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.769 HG12 HG11 ' A' ' 26' ' ' VAL . 18.2 mt -96.18 -52.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -57.51 -36.24 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.8 ptpt -79.4 -23.27 43.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.511 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.7 OUTLIER -67.17 -33.49 75.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD1' HG11 ' B' ' 28' ' ' VAL . 9.7 mp -72.37 -15.63 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.6 tttt -105.06 -33.16 8.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.8 t30 61.43 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.449 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 80.4 m -87.45 149.1 24.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLN . . . . . 0.476 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.52 -1.61 56.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' CYS . . . . . 0.466 ' HB2' ' CG ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -144.59 132.67 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -102.62 -16.45 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.633 ' O ' HG23 ' B' ' 14' ' ' THR . 1.8 tp60 -129.14 172.98 10.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.633 HG23 ' O ' ' B' ' 13' ' ' GLN . 8.8 p -158.89 164.95 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.919 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -100.14 178.72 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -112.24 -13.04 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.22 98.77 0.16 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.843 HG13 HD13 ' B' ' 15' ' ' LEU . 3.4 mm -95.06 156.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.6 140.22 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 13.5 tp -87.76 12.22 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -95.77 -19.09 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.575 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.9 m-20 -98.34 -45.0 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.586 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.0 OUTLIER -52.76 128.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.68 -24.61 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.4 OUTLIER -147.82 160.55 42.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.953 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.52 HG11 HG12 ' B' ' 63' ' ' ILE . 39.2 t -128.77 133.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -125.65 123.85 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.871 HG11 ' CD1' ' A' ' 67' ' ' LEU . 72.4 t -115.88 114.93 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.06 88.67 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.511 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -53.37 168.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.438 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 158.23 42.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.13 -160.5 8.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.637 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.0 2.77 6.25 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.637 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.1 p-80 -112.43 -46.07 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 1.2 m -127.71 122.61 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.85 23.78 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.9 mm-40 -127.56 148.48 50.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 18.1 m -69.9 160.82 31.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 41' ' ' ILE . 1.6 tt0 -148.12 91.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.666 HG11 HD11 ' B' ' 63' ' ' ILE . 57.6 t -88.46 126.15 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.665 HD11 ' OE2' ' B' ' 39' ' ' GLU . 2.9 mp -130.56 110.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -101.2 133.1 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.0 m -84.07 136.62 33.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.575 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -83.67 150.13 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.524 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.3 -4.15 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.81 -10.57 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.05 -8.97 29.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.93 -172.19 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -144.79 144.6 31.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.919 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.43 111.55 10.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.514 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.52 138.57 49.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' B' ' 59' ' ' VAL . 24.5 mt -111.02 158.52 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.95 118.63 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.84 22.01 16.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 27.4 t -121.13 143.23 36.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.41 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -26.18 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.683 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -72.41 -15.15 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 4.11 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -115.66 -15.88 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.53 -16.41 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.683 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.6 mt -94.8 -54.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -54.84 -35.22 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.9 mttt -73.18 -33.81 65.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.489 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.6 mmm -62.97 -37.89 88.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.812 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -70.71 -15.68 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 -27.99 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 7.7 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.0 m -81.91 165.92 20.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -103.22 -4.61 24.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 137.36 25.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.51 -14.63 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 14' ' ' THR . 2.3 tm0? -133.95 173.51 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLN . 19.8 p -156.26 165.75 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.902 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mt -106.99 -178.75 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 9.1 tp60 -88.47 -13.38 40.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.878 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 146.93 -34.7 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 18.8 mm 55.63 164.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -64.62 138.51 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 66' ' ' MET . 48.2 tp -84.82 8.06 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -86.76 -18.13 31.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.57 ' CG ' HD21 ' A' ' 44' ' ' LEU . 3.3 m-20 -99.49 -44.13 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.3 mt -51.31 128.21 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.93 -21.83 10.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.77 161.17 42.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 63' ' ' ILE . 72.4 t -129.66 142.25 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -137.74 125.52 22.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.863 HG11 ' HG ' ' B' ' 67' ' ' LEU . 86.3 t -114.4 109.56 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 88.31 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 1.1 p -57.29 169.29 0.76 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.948 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 157.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.45 -158.66 7.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.98 0.83 8.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -111.2 -53.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 126.84 54.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 23.64 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 31.9 mm-40 -127.76 154.1 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 m -85.89 165.06 17.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.54 105.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -88.44 125.82 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.44 111.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.64 139.28 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.6 m -88.72 131.02 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.57 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.3 150.21 35.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -74.96 -4.41 38.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.35 -9.65 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 108.42 -2.05 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.59 -171.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 47' ' ' GLY . 2.4 mptt -142.22 144.61 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.902 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -138.51 113.23 9.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.92 141.49 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.878 HD22 ' HA2' ' A' ' 17' ' ' GLY . 11.3 mt -111.52 160.18 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.463 ' O ' HG21 ' A' ' 59' ' ' VAL . 67.3 t30 -91.08 117.37 67.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.55 19.76 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -118.74 142.16 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.41 11.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.762 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 62' ' ' ILE . 9.0 tpp -77.98 -19.69 54.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.0 t -79.26 -12.51 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -97.14 3.87 51.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -118.31 -15.7 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 20' ' ' LEU . 15.6 mt -91.14 -16.78 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 26' ' ' VAL . 17.0 mt -93.41 -57.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -51.87 -36.27 47.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' ASN . 31.1 mmtt -71.33 -35.38 71.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.49 -39.44 80.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.811 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.2 mp -68.97 -15.51 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -102.42 -27.77 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.4 t-20 61.51 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 m -97.9 160.67 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -5.08 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 137.29 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.35 -15.04 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 14' ' ' THR . 5.8 tt0 -135.09 171.25 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -153.17 165.97 33.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.066 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.6 mt -102.61 134.33 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.7 tt0 -98.11 66.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.97 102.08 2.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.81 HG13 HD13 ' B' ' 15' ' ' LEU . 2.6 mm -123.51 158.84 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -65.24 131.54 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.9 HD23 ' CG2' ' B' ' 62' ' ' ILE . 1.2 tm? -89.73 17.15 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -94.83 -24.26 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.498 ' HB3' HD21 ' B' ' 44' ' ' LEU . 4.3 m-20 -93.46 -35.95 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.709 HG12 ' HB1' ' B' ' 42' ' ' ALA . 2.1 mt -56.8 132.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.71 -25.32 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.6 OUTLIER -146.97 165.0 31.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.99 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.843 HG23 ' HE2' ' B' ' 66' ' ' MET . 30.6 t -131.6 136.05 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -129.15 122.34 29.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.811 HG11 ' CD1' ' A' ' 67' ' ' LEU . 5.2 t -114.33 119.24 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 98.65 5.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -58.77 173.5 0.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.03 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.33 -162.31 11.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 1.51 7.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.7 p-80 -113.77 -48.73 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 120.3 38.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.7 24.5 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.6 mm-40 -128.89 154.42 46.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.0 m -80.56 156.0 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -135.0 88.14 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.92 HG11 HD11 ' B' ' 63' ' ' ILE . 58.6 t -86.12 125.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.774 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.1 mm -126.05 154.25 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -142.27 128.16 19.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.443 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.4 m -80.18 140.52 36.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.511 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -88.72 150.05 23.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.58 -4.93 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.07 -8.48 25.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.0 -10.08 34.1 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.94 -173.05 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -145.12 144.65 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 1.066 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.3 110.8 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.755 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -67.91 140.3 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.8 mt -111.32 164.38 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.499 ' H ' HG21 ' B' ' 59' ' ' VAL . 35.8 t30 -101.57 114.78 65.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.69 5.64 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 25.3 t -105.2 142.09 23.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.91 8.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.3 59.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.4 t -71.55 -13.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.66 3.77 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -117.48 -15.46 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.9 ' CG2' HD23 ' B' ' 20' ' ' LEU . 14.1 mt -91.41 -17.34 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.92 HD11 HG11 ' B' ' 40' ' ' VAL . 14.9 mt -92.64 -57.47 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.39 -34.73 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.8 mmtt -73.82 -35.57 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.852 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.9 mmm -62.04 -36.08 80.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.863 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -71.33 -15.72 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -29.21 11.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.1 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.07 168.92 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -4.46 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 127.67 18.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.19 -13.47 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -130.56 171.67 12.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' GLN . 7.7 p -159.74 165.02 33.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.101 HD22 HD11 ' A' ' 18' ' ' ILE . 1.1 mt -112.79 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.01 -15.01 55.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.607 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 132.52 102.16 0.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 1.101 HD11 HD22 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -84.84 163.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -46.66 138.19 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.0 tm? -84.01 7.36 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' CG ' ' A' ' 19' ' ' HIS . 2.0 pttm -87.97 -10.32 50.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' CG ' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -107.14 -38.83 5.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.646 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.2 mt -59.0 130.27 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.74 -25.3 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.13 164.87 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -130.2 134.1 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -124.45 122.02 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' B' ' 67' ' ' LEU . 13.6 t -115.4 119.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.62 86.32 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.483 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.1 OUTLIER -51.84 174.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.96 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' CYS . . . -142.36 -159.47 7.95 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.2 8.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -113.63 -49.82 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -113.31 124.82 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.78 23.71 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -130.44 159.01 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.446 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.5 m -89.49 157.35 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 2.3 pm0 -146.0 72.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 54' ' ' PRO . 32.1 t -64.7 135.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.9 mp -131.47 155.4 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -141.27 133.14 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.4 m -84.4 139.57 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -88.3 150.25 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.82 -4.49 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.94 -7.82 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.77 -8.01 36.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.69 -173.74 4.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -145.04 144.42 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -132.56 112.52 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.34 137.86 46.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD22 ' HA2' ' A' ' 17' ' ' GLY . 10.1 mt -115.22 165.2 13.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -99.61 122.81 50.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.03 -5.19 16.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.54 21.14 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 t -120.34 143.86 36.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -23.88 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 63' ' ' ILE . 4.4 t -75.84 -14.06 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -97.33 3.47 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -117.49 -15.02 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.737 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.6 mt -93.75 -16.16 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 59' ' ' VAL . 29.1 mt -93.05 -54.57 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.44 -35.62 60.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -37.22 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.767 ' HG2' HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -53.58 -39.94 65.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.52 HD11 HG21 ' B' ' 28' ' ' VAL . 7.2 mp -68.16 -14.61 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -105.32 -18.6 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 19.0 t-20 62.88 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 m -97.38 163.63 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.21 -4.63 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 136.77 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.6 -15.05 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.446 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -136.09 170.92 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.446 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -152.37 165.1 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.957 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 8.8 mt -101.58 -177.54 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.57 -14.64 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.776 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.5 -35.64 1.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.0 mm 55.79 164.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -69.04 137.0 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' B' ' 66' ' ' MET . 9.3 tp -80.28 3.22 21.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.6 OUTLIER -83.63 -15.4 49.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.43 -39.01 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.73 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.2 mt -57.63 138.62 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HB2' ' CA ' ' B' ' 45' ' ' LYS . 0.1 OUTLIER -115.39 -24.73 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.01 161.98 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.643 HG11 HG23 ' B' ' 63' ' ' ILE . 25.1 t -126.52 132.36 70.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -123.05 122.64 38.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.52 HG21 HD11 ' A' ' 67' ' ' LEU . 1.2 t -111.79 117.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 90.34 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -55.19 172.55 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.93 178.38 7.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -161.87 10.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -111.42 -50.53 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.38 122.59 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 24.15 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 34.8 mm-40 -126.92 154.81 43.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 56.0 m -79.46 165.01 23.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 75.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.746 ' O ' HD13 ' B' ' 41' ' ' ILE . 42.8 t -76.92 124.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.783 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.88 160.01 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.541 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -147.75 126.51 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -76.98 133.31 39.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -80.3 149.76 30.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.94 -1.97 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.0 OUTLIER -100.22 -9.56 22.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 1.31 34.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 15.1 mt-30 -96.25 -171.21 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -142.56 147.28 35.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.47 111.85 10.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.783 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.26 140.08 54.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 108.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.776 HD22 ' HA2' ' B' ' 17' ' ' GLY . 17.5 mt -113.07 162.26 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG11 ' B' ' 59' ' ' VAL . 66.4 t30 -94.58 117.55 66.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.486 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.9 7.49 30.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -106.44 145.59 31.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.551 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.48 -19.47 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.755 ' O ' HD12 ' B' ' 63' ' ' ILE . 7.0 t -80.07 -9.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.27 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 -15.53 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD13 ' B' ' 20' ' ' LEU . 20.0 mt -90.99 -16.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.755 HD12 ' O ' ' B' ' 59' ' ' VAL . 22.9 mt -94.45 -56.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -54.07 -35.2 61.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 72.0 mttt -72.02 -33.43 68.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.789 ' HG2' HD11 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -61.41 -38.62 87.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.804 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.16 -15.5 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -29.92 11.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 22.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 m -94.72 164.87 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 108.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -101.09 -5.82 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 135.25 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.26 -18.3 15.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' THR . 5.3 tp60 -132.14 168.56 17.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -153.5 165.17 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.001 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.5 mt -91.12 178.53 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -111.69 -13.17 13.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 98.83 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 18' ' ' ILE . 4.9 mm -97.45 158.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-80 -57.98 148.75 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.688 HD11 ' HG2' ' A' ' 66' ' ' MET . 6.6 tp -90.57 19.29 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -9.5 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 44' ' ' LEU . 2.9 m-20 -108.55 -33.57 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.792 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -67.14 125.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -104.71 -25.59 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -152.21 161.5 42.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 63' ' ' ILE . 23.9 t -127.57 129.28 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 17.5 tptp -120.01 120.89 37.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.891 HG11 ' CD1' ' B' ' 67' ' ' LEU . 47.4 t -109.83 116.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 92.87 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -59.71 171.23 0.87 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.96 19.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.13 -161.36 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -113.4 -50.29 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.48 117.13 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.68 23.97 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 13.1 mm-40 -127.17 148.05 50.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.9 m -77.7 155.29 31.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -134.98 79.12 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.581 ' C ' HD13 ' A' ' 41' ' ' ILE . 99.2 t -76.74 118.56 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.68 HD12 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -120.33 154.79 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.792 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -144.13 134.72 24.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.9 m -80.09 143.08 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -94.45 154.27 17.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -74.34 -6.08 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.43 -9.77 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.97 -12.84 31.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 50.8 mt-30 -83.04 -171.21 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -142.86 144.97 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.001 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -126.25 112.16 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.78 137.03 56.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' HG12 ' A' ' 40' ' ' VAL . 11.0 mt -111.02 156.45 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -90.78 119.1 69.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.02 -1.74 11.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.11 7.32 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 t -106.28 141.23 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -23.67 66.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.693 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.6 t -75.3 -3.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -104.25 3.44 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -15.98 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 20.0 mt -91.29 -16.73 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 26' ' ' VAL . 43.4 mt -93.32 -56.42 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.92 -36.87 60.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HB3' HD22 ' A' ' 20' ' ' LEU . 9.1 mttt -70.41 -35.65 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.724 ' HG3' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -59.9 -39.47 85.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 28' ' ' VAL . 7.9 mp -68.51 -15.67 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -102.1 -27.84 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.0 t-20 61.76 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.6 m -101.09 169.52 8.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -101.02 -2.37 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 134.96 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -103.23 -15.02 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.559 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -131.05 171.76 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.559 HG23 ' O ' ' B' ' 13' ' ' GLN . 2.0 p -155.85 165.41 36.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.985 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.6 mt -108.12 132.92 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -64.92 -11.9 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.64 98.76 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.2 mm -94.36 162.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.471 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -54.63 136.75 45.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 1.013 HD11 ' HG2' ' B' ' 66' ' ' MET . 37.4 tp -86.26 10.57 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.38 -11.6 51.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.7 m-80 -108.09 -39.21 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.659 ' HB ' HD12 ' B' ' 20' ' ' LEU . 1.6 mt -56.66 130.08 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -22.26 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.72 165.05 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.957 HG11 HG12 ' B' ' 63' ' ' ILE . 53.5 t -133.54 138.17 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -133.11 126.95 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 67' ' ' LEU . 69.9 t -115.87 112.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 84.51 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.418 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -45.34 165.16 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.02 165.48 31.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.44 -159.85 8.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -113.26 -48.55 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 124.32 51.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.4 24.41 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 6.8 mm100 -130.35 152.07 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 47.5 m -72.56 165.08 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.65 91.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.455 HG22 HG22 ' B' ' 28' ' ' VAL . 92.8 t -90.41 119.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.37 110.49 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.57 146.58 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -94.32 133.48 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -79.71 150.59 30.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.522 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.72 -3.24 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.78 -9.72 22.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.51 -7.76 30.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -86.31 -171.34 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -144.51 144.68 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.985 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -132.45 112.25 11.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.82 140.06 49.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.274 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.543 ' HB3' HG22 ' B' ' 59' ' ' VAL . 26.6 mt -110.19 165.08 12.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.86 ' O ' HG21 ' B' ' 59' ' ' VAL . 7.6 t-20 -100.34 118.28 61.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.84 16.39 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 8.9 t -117.12 142.06 29.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.78 15.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -19.66 57.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.86 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -71.52 -18.31 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.63 3.55 55.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -117.35 -15.8 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.647 HG23 HD13 ' B' ' 20' ' ' LEU . 15.0 mt -91.65 -16.83 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.957 HG12 HG11 ' B' ' 26' ' ' VAL . 32.6 mt -91.59 -57.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.57 -36.71 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.7 OUTLIER -70.07 -36.31 74.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 66' ' ' MET . . . . . 1.013 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.3 mmm -61.7 -40.8 96.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.891 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.29 -15.55 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.01 13.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.37 157.82 37.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -6.0 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.62 128.64 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.47 -21.2 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -128.8 172.22 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -158.5 165.32 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.964 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.8 mt -95.59 174.4 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -106.72 -13.29 15.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 146.23 95.36 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.785 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -88.76 162.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -58.06 139.03 55.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' HG2' ' A' ' 66' ' ' MET . 15.9 tp -82.79 6.01 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -94.02 -16.77 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.1 m-20 -97.26 -42.29 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -59.4 132.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -24.46 9.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.94 161.14 42.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 66' ' ' MET . 28.7 t -129.95 132.59 65.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -123.21 122.07 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.964 HG11 ' CD1' ' B' ' 67' ' ' LEU . 54.4 t -111.75 115.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.53 94.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -55.25 175.66 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 179.23 6.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.41 -159.85 8.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.96 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.696 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -114.73 -54.25 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 52.7 t -106.0 118.08 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 23.89 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.7 mp0 -133.41 155.55 49.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 63.4 m -77.06 163.04 27.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 11' ' ' CYS . 61.7 mm-40 -144.65 78.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG11 HD11 ' A' ' 63' ' ' ILE . 54.2 t -74.98 127.54 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.764 HD12 ' SG ' ' A' ' 51' ' ' CYS . 1.4 mm -126.05 160.15 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -149.14 129.83 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -82.06 128.15 33.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -74.76 148.9 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.13 -3.21 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -98.8 -10.08 23.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.68 -9.48 30.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 24.1 mt-30 -86.4 -172.58 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 1.4 mttt -140.64 149.3 42.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.964 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.92 112.61 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.764 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -72.01 137.82 47.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.9 158.31 19.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.527 HD21 ' HB3' ' A' ' 55' ' ' ALA . 57.7 t30 -98.85 121.34 56.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.97 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -107.02 18.91 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 t -117.24 142.64 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.88 7.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -25.66 53.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' A' ' 63' ' ' ILE . 20.9 t -71.86 -10.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -101.13 3.66 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -117.45 -16.19 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.9 mt -91.6 -16.84 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HG11 ' A' ' 40' ' ' VAL . 15.9 mt -93.98 -56.16 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.4 -35.1 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mtpt -71.69 -33.91 69.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.691 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tmm? -61.11 -38.62 86.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 63' ' ' ILE . 7.8 mp -69.73 -15.55 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.7 mmtt -102.78 -27.14 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . 28.0 t-20 62.12 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 30.1 m -97.2 156.44 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -85.79 -3.56 58.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 126.62 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.5 -18.02 27.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 14' ' ' THR . 5.7 tt0 -135.13 173.55 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 13' ' ' GLN . 3.8 p -157.41 165.18 36.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.753 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 24.5 mt -104.9 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 10.8 tt0 -98.91 -8.18 26.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.705 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 125.02 100.97 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.4 mt -86.27 160.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.3 OUTLIER -52.55 141.93 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.705 HD13 ' HG2' ' B' ' 66' ' ' MET . 11.9 tp -78.55 0.44 26.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -78.96 -15.56 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.7 -55.79 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.99 129.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -19.16 13.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.32 157.7 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.939 HG11 HG12 ' B' ' 63' ' ' ILE . 42.4 t -130.87 135.56 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.43 127.13 38.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 40' ' ' VAL . 14.0 t -113.25 121.71 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.01 87.26 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.529 ' HB2' ' HE1' ' A' ' 66' ' ' MET . 0.5 OUTLIER -45.65 170.36 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.98 176.37 10.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -162.33 10.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -112.37 -49.69 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 120.07 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.89 24.31 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 23.1 mm-40 -125.77 154.88 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 16.7 m -80.18 160.54 25.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 109.85 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 28' ' ' VAL . 77.6 t -106.97 117.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.97 115.82 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.85 146.67 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -95.34 131.38 41.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.485 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -76.71 150.03 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.485 ' H ' HD23 ' B' ' 44' ' ' LEU . 5.3 tppt? -74.66 -4.46 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.21 -8.86 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.62 -8.02 32.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 45.1 mt-30 -85.9 -172.35 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.258 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.0 OUTLIER -142.29 145.04 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.753 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.41 113.51 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.62 139.66 42.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 108.265 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.705 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.1 mt -110.21 165.27 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.895 ' O ' HG21 ' B' ' 59' ' ' VAL . 10.2 t-20 -96.33 121.09 61.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.5 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.75 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.17 21.1 17.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 9.5 t -118.28 144.06 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -20.86 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.895 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.31 -19.72 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.1 OUTLIER -94.32 3.52 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.19 -16.15 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.447 HD11 ' HA3' ' B' ' 17' ' ' GLY . 16.7 mt -91.45 -16.87 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.939 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -92.18 -57.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.65 -35.41 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' B' ' 69' ' ' ASN . 5.0 mmtt -75.88 -29.41 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.705 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.8 mmm -69.65 -36.89 76.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.964 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -74.34 -15.32 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -105.82 -19.97 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.7 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' NE2' ' A' ' 37' ' ' GLN . 60.5 m -94.91 142.71 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -4.47 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 128.4 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.08 -17.91 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -128.02 173.24 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.0 p -159.44 165.27 33.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 HG13 ' A' ' 18' ' ' ILE . 9.1 mt -110.82 137.75 48.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -68.31 -13.91 62.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.07 100.25 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.84 HG13 HD13 ' A' ' 15' ' ' LEU . 3.4 mm -93.56 159.21 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.88 132.8 32.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 62' ' ' ILE . 1.5 tm? -87.51 12.8 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -91.71 -19.76 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.536 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 m-20 -98.35 -36.88 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.697 ' HB ' HD22 ' A' ' 20' ' ' LEU . 2.1 mt -55.44 131.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -114.06 -24.7 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.75 163.71 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.517 HG11 HG12 ' A' ' 63' ' ' ILE . 33.0 t -130.32 132.93 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ILE . 20.0 tptt -129.46 121.54 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.751 HG11 ' CD1' ' B' ' 67' ' ' LEU . 9.7 t -115.73 120.94 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -122.26 87.33 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -47.02 175.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.5 Cg_endo -75.0 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.14 -157.41 7.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.93 0.92 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -116.69 -58.73 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.6 t -100.47 115.12 29.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.58 24.71 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.531 ' NE2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -136.33 152.45 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 20.9 m -74.26 163.96 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.1 77.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.25 132.44 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 2.0 mp -129.45 118.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -105.76 134.54 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -83.51 140.74 32.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.56 150.21 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.59 -4.71 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.602 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -100.04 -7.8 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.71 -10.57 35.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.4 -172.74 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -145.38 144.67 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.784 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.06 110.65 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.13 140.38 48.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 59' ' ' VAL . 39.6 mt -106.37 166.34 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.803 ' O ' HG21 ' A' ' 59' ' ' VAL . 41.4 t30 -96.03 110.18 50.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.98 46.4 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.99 27.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 31.0 t -127.26 146.74 59.2 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.86 10.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.773 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.517 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -99.37 -21.38 16.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.803 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.6 t -73.31 -22.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -94.33 3.49 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -116.33 -16.21 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 20' ' ' LEU . 11.8 mt -94.15 -15.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.8 mt -94.14 -55.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 73.2 mt-10 -51.38 -34.55 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -76.54 -34.45 58.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.86 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -59.05 -36.27 74.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.961 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.89 -15.3 63.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpt -104.05 -31.28 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t30 61.27 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.484 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 78.4 m -102.22 164.64 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -4.78 27.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 137.41 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -103.7 -15.03 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.414 ' O ' HG23 ' B' ' 14' ' ' THR . 13.2 tt0 -135.19 168.21 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 0.9 OUTLIER -151.57 164.89 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.912 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.5 mt -96.79 -175.3 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -106.26 -13.26 15.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.32 98.8 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.546 HD12 HD13 ' B' ' 15' ' ' LEU . 7.9 mt -91.47 163.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -52.52 139.16 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.6 tm? -87.75 12.75 12.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.2 OUTLIER -92.2 -24.02 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.431 ' HB3' HD21 ' B' ' 44' ' ' LEU . 3.5 m-80 -92.68 -33.57 14.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.797 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -59.93 133.75 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -113.34 -23.41 9.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.2 165.46 33.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.544 HG11 HG12 ' B' ' 63' ' ' ILE . 29.7 t -131.19 140.49 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CE ' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tptt -133.57 123.22 24.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.961 HG11 ' CD1' ' A' ' 67' ' ' LEU . 15.3 t -116.94 103.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 92.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.492 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -61.77 171.46 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.99 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.35 -158.79 17.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.23 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.73 121.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.18 24.17 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.3 mt-30 -129.93 159.5 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 36.6 m -86.61 164.48 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' CB ' ' B' ' 9' ' ' CYS . 0.5 OUTLIER -147.3 74.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.693 ' O ' HD13 ' B' ' 41' ' ' ILE . 57.2 t -72.71 123.75 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.76 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -125.82 151.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.797 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -138.68 126.3 22.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.0 m -79.3 141.13 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.562 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -90.37 151.42 21.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.562 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.29 -4.78 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.12 -8.59 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.74 -10.11 34.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -82.92 -174.18 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -146.12 144.62 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.912 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -129.63 110.74 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.76 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.86 137.0 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.575 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.4 mt -110.96 161.49 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.542 HD21 ' HB3' ' B' ' 55' ' ' ALA . 63.1 t30 -93.75 121.37 64.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.493 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 -3.97 14.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -102.65 16.37 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -114.03 141.24 25.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.02 9.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -24.83 60.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.724 ' O ' HD12 ' B' ' 63' ' ' ILE . 3.7 t -73.64 -13.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.48 ' HE3' HD23 ' A' ' 67' ' ' LEU . 6.5 mmmm -98.21 2.84 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -117.42 -15.47 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.828 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.4 mt -92.22 -16.51 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.724 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.6 mt -93.55 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -52.74 -35.78 56.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 69' ' ' ASN . 45.2 mttt -71.32 -35.67 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.805 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.2 mmm -60.21 -38.9 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.751 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.99 -15.53 63.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 -23.86 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 65' ' ' LYS . 17.5 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.53 156.41 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 108.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -91.75 -4.7 54.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.99 120.96 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.64 -14.79 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -126.61 172.64 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -160.86 165.85 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.037 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.8 mt -110.24 150.45 28.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.3 tm0? -81.94 -15.03 55.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.38 101.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -97.48 155.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 139.29 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 66' ' ' MET . 41.7 tp -86.6 11.57 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -91.26 -19.67 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' CG ' HD21 ' A' ' 44' ' ' LEU . 5.2 m-20 -96.75 -42.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.81 128.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -19.29 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.13 159.45 41.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 66' ' ' MET . 39.7 t -129.92 135.53 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -134.02 127.37 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.89 HG11 ' HG ' ' B' ' 67' ' ' LEU . 72.1 t -116.52 108.89 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 86.42 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.09 170.48 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 162.6 36.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.09 -156.87 7.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.697 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.89 -0.65 10.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.697 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -117.28 -52.99 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.645 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.05 122.05 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.59 24.34 9.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 5.8 mp0 -140.46 157.24 45.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.482 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 75.9 m -70.53 165.27 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 69.4 mm-40 -153.19 76.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 63' ' ' ILE . 58.1 t -70.65 126.3 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.7 mp -129.65 105.8 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.56 139.47 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -87.34 132.21 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -78.81 150.0 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.37 -4.0 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.46 -9.63 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.54 -10.35 30.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -85.23 -172.18 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 147.36 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.037 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.52 113.38 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.535 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.39 140.21 46.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 108.27 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 59' ' ' VAL . 32.1 mt -106.73 160.44 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' HG11 ' A' ' 59' ' ' VAL . 41.4 t30 -88.67 112.94 53.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.482 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.96 49.09 2.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -123.2 149.66 58.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.81 8.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.631 ' HG3' HD11 ' A' ' 62' ' ' ILE . 24.5 tpp -83.05 -24.41 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.774 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 t -69.76 -16.13 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 4.26 44.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -117.97 -15.87 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 58' ' ' MET . 19.0 mt -93.24 -16.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.1 mt -93.94 -56.14 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -52.23 -36.76 53.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -69.6 -36.94 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.901 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -57.25 -41.47 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.697 HD12 HG11 ' B' ' 28' ' ' VAL . 7.4 mp -66.73 -15.93 63.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -101.07 -30.52 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.4 t30 61.82 -78.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.05 164.09 26.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -5.55 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 135.22 24.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.64 -15.13 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -134.64 165.23 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -151.37 165.28 34.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -106.4 147.27 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.03 -12.17 60.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.19 103.25 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.786 HD12 HD13 ' B' ' 15' ' ' LEU . 11.3 mt -82.72 161.01 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.457 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 2.2 t-160 -53.09 148.49 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' B' ' 66' ' ' MET . 8.5 tp -88.43 13.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.42 -4.39 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -114.86 -39.35 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.777 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -60.33 129.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.14 -25.06 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.428 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.1 OUTLIER -152.62 163.02 40.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.773 HG11 HG12 ' B' ' 63' ' ' ILE . 68.4 t -128.41 139.3 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 10.1 tptm -131.51 120.44 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 67' ' ' LEU . 14.0 t -111.39 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -113.92 79.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.425 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -44.52 169.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.3 Cg_endo -74.99 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -158.11 8.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.52 7.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -114.12 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 42.3 t -111.81 120.95 43.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.8 24.44 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.5 mm-40 -133.35 152.74 51.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -76.7 159.54 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -146.35 83.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.54 128.26 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.5 mt -124.51 109.02 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.777 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -96.92 128.18 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 19.9 m -79.6 140.94 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.555 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.18 151.06 21.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.555 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.87 -5.17 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -97.84 -8.61 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.442 ' O ' ' CE ' ' B' ' 49' ' ' LYS . . . 107.98 -9.65 36.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 64.9 mt-30 -84.25 -175.19 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' B' ' 47' ' ' GLY . 0.0 OUTLIER -143.47 144.3 31.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 1.042 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.59 111.53 10.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -62.81 138.02 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.506 ' CD1' ' HB2' ' B' ' 42' ' ' ALA . 22.9 mt -110.92 158.5 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.529 ' O ' HG21 ' B' ' 59' ' ' VAL . 65.9 t30 -91.46 117.55 67.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.465 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.97 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.4 27.37 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -122.74 144.81 43.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.05 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -25.29 60.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.71 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.6 t -74.15 -6.19 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -101.27 3.33 40.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -119.05 -15.72 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.47 -16.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.773 HG12 HG11 ' B' ' 26' ' ' VAL . 15.0 mt -95.62 -56.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -54.99 -32.44 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' B' ' 20' ' ' LEU . 23.9 mmtp -76.04 -32.57 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.617 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.4 mmm -65.69 -36.3 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.89 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -72.07 -15.46 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -29.51 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' LYS . 10.7 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 69.5 m -77.37 141.45 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -79.67 0.04 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.2 114.58 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.06 -26.05 29.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' THR . 2.1 tm0? -136.17 169.31 17.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -155.07 159.07 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.462 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.765 HD12 ' CD1' ' A' ' 18' ' ' ILE . 11.8 mt -114.67 172.25 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -116.08 70.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 86.49 101.39 0.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.765 ' CD1' HD12 ' A' ' 15' ' ' LEU . 94.3 mt -101.83 153.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.505 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -62.39 138.72 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.7 tp -88.93 16.87 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -96.7 -18.36 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.3 m-80 -104.64 -42.86 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.6 mt -54.5 129.38 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.15 -21.93 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -151.57 160.0 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 63' ' ' ILE . 31.8 t -128.69 133.83 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -126.69 123.71 38.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG21 HD11 ' B' ' 67' ' ' LEU . 0.4 OUTLIER -112.72 121.09 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.06 95.22 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.535 ' H ' ' HE1' ' B' ' 66' ' ' MET . 0.1 OUTLIER -52.85 175.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -75.06 174.11 13.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.5 -161.53 9.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -111.04 -51.2 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -116.46 124.49 50.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.05 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.4 mt-30 -127.97 160.07 33.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.521 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 26.4 m -76.2 162.0 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -146.48 92.27 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 63' ' ' ILE . 89.1 t -89.15 127.3 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.8 113.91 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.17 138.0 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 16.0 m -86.97 141.48 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -89.31 149.57 22.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.77 -4.7 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.612 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -97.49 -8.72 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.21 0.23 38.15 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' A' ' 46' ' ' ASN . 35.7 mt-30 -94.86 -171.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 3.9 mptt -143.45 145.96 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 18' ' ' ILE . . . -130.65 110.9 11.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 8.1 m -68.11 134.8 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 18' ' ' ILE . 29.1 mt -110.68 163.81 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 4.7 t-20 -100.71 122.39 49.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.02 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -99.43 12.0 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -108.29 142.26 24.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.35 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tpp -68.99 -25.87 64.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 63' ' ' ILE . 14.1 t -70.36 -10.34 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.92 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -116.83 -15.75 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' HA2' ' A' ' 17' ' ' GLY . 13.5 mt -93.88 -16.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.7 mt -94.12 -53.63 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.77 -34.73 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.5 mttm -74.18 -30.88 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.483 ' HG2' HD13 ' A' ' 20' ' ' LEU . 1.3 mmm -61.86 -37.39 84.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' B' ' 28' ' ' VAL . 9.0 mp -70.01 -15.41 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.1 ttpp -103.29 -30.21 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.1 t30 61.97 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.093 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 16.8 m -98.95 163.84 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -3.37 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 125.88 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -91.02 -16.66 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 14' ' ' THR . 0.1 OUTLIER -134.67 172.04 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 13' ' ' GLN . 11.5 p -154.97 165.6 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.886 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.7 mt -101.74 170.52 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.431 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.6 tm0? -92.55 -10.1 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.442 ' CA ' ' CD1' ' B' ' 62' ' ' ILE . . . 126.06 101.64 1.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.851 HD12 HD13 ' B' ' 15' ' ' LEU . 4.0 mt -88.89 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -52.02 146.89 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.875 HD23 HG23 ' B' ' 62' ' ' ILE . 0.2 OUTLIER -89.23 16.47 7.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 9.7 tppt? -98.23 -5.59 32.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.56 -50.26 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.4 135.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -25.56 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.72 154.62 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.937 HG11 HG12 ' B' ' 63' ' ' ILE . 41.8 t -129.56 132.92 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.35 125.0 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 67' ' ' LEU . 73.1 t -112.55 121.04 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 92.58 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -51.06 173.78 0.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.01 175.97 10.53 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.4 -161.77 9.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.62 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.62 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.47 -52.32 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.07 122.47 47.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.6 23.68 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.419 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 7.4 mt-30 -127.36 159.72 33.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.5 m -85.34 157.1 20.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.79 102.18 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.5 t -97.08 121.33 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.18 117.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.53 144.84 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 17.4 m -93.83 131.26 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -76.63 148.44 36.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.96 -3.79 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.638 ' HB3' HD22 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -99.13 -8.86 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.68 -3.92 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' B' ' 46' ' ' ASN . 12.3 mt-30 -89.51 -172.08 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 147.98 35.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -141.03 117.52 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.679 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -78.99 141.92 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.277 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.2 mt -113.39 165.11 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.609 ' O ' HG21 ' B' ' 59' ' ' VAL . 8.9 t-20 -98.57 119.87 60.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.47 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -2.81 13.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.53 19.86 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 17.5 t -114.05 144.01 30.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -32.4 5.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 tpp -72.46 -24.68 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.609 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.3 t -70.13 -11.98 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.7 3.36 55.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.16 -15.1 9.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.875 HG23 HD23 ' B' ' 20' ' ' LEU . 18.4 mt -90.62 -16.92 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.937 HG12 HG11 ' B' ' 26' ' ' VAL . 15.8 mt -94.64 -56.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -54.09 -35.51 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 69' ' ' ASN . 39.9 mttt -71.16 -33.72 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.692 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.2 tmm? -60.57 -43.14 97.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 28' ' ' VAL . 6.8 mp -66.73 -15.52 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -101.52 -28.11 12.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 65' ' ' LYS . 15.7 t30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.6 m -93.68 150.78 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -5.58 47.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.43 129.77 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -91.66 -19.2 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -135.05 172.21 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' GLN . 16.2 p -156.52 165.32 36.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.693 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mt -96.79 172.14 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 12.1 tt0 -101.75 -7.5 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.1 97.64 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.637 HG13 HD13 ' A' ' 15' ' ' LEU . 6.5 mm -88.05 154.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -49.49 137.4 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.575 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 66' ' ' MET . 55.2 tp -81.93 4.56 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -15.54 36.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.599 ' CG ' HD21 ' A' ' 44' ' ' LEU . 8.4 m-20 -101.02 -49.86 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -51.69 127.49 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 -18.69 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.434 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -152.8 161.32 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.668 HG23 ' HG3' ' A' ' 66' ' ' MET . 55.2 t -132.01 142.51 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -141.23 127.21 19.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.954 HG11 HD12 ' B' ' 67' ' ' LEU . 18.9 t -115.36 115.27 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.09 88.02 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.474 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -48.13 172.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.54 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.04 1.84 7.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.8 p-80 -117.17 -56.31 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 45.0 t -102.33 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.29 24.6 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 37.6 mm-40 -135.9 160.51 38.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 30' ' ' SER . 2.7 m -89.07 155.11 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -144.35 89.43 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.791 ' C ' HD13 ' A' ' 41' ' ' ILE . 92.1 t -77.31 122.73 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' SG ' ' A' ' 51' ' ' CYS . 2.4 mm -118.95 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -118.61 139.33 51.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -90.29 135.94 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.58 150.73 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.37 -4.2 34.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.16 -9.44 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.52 -7.22 31.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.36 -171.79 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -145.04 144.85 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -129.88 111.73 12.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.847 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.3 m -69.6 135.57 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -114.33 165.98 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 5.0 t-20 -108.37 120.92 45.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -98.35 1.08 46.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -103.21 145.32 30.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.438 ' HG3' HD11 ' A' ' 62' ' ' ILE . 30.6 tpp -59.92 -25.81 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.691 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.9 t -72.05 -14.71 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -95.83 4.11 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -116.22 -15.23 11.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HG3' ' A' ' 58' ' ' MET . 13.6 mt -94.75 -16.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 40' ' ' VAL . 16.6 mt -94.01 -53.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 70.4 mt-10 -55.8 -35.67 66.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 4.7 mttm -72.13 -33.76 68.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.668 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.1 mmm -60.45 -38.21 83.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.745 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -68.98 -15.61 63.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -102.7 -31.48 10.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.9 t-20 61.52 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.84 164.99 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.86 8.02 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -87.36 -25.98 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.613 ' O ' HG23 ' B' ' 14' ' ' THR . 2.7 tt0 -135.91 178.95 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.613 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -157.18 160.57 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.016 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.6 mt -110.69 -161.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 16.5 tt0 -112.65 0.59 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.626 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 136.62 -39.7 1.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.597 HG13 HD13 ' B' ' 15' ' ' LEU . 2.7 mm 55.88 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -63.78 146.05 54.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.843 ' HB2' HG23 ' B' ' 62' ' ' ILE . 12.1 tp -91.37 8.97 33.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.84 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.43 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.4 m-20 -97.69 -39.34 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.622 HG12 ' HB1' ' B' ' 42' ' ' ALA . 3.1 mt -57.58 129.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.34 -25.49 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 163.44 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 63' ' ' ILE . 46.9 t -126.45 137.3 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 7.8 tptm -126.27 118.46 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 67' ' ' LEU . 4.0 t -110.88 114.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.2 OUTLIER -117.69 83.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.9 OUTLIER -46.91 174.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.441 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.06 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.72 -158.15 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.79 7.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.26 -55.64 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.639 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.77 124.96 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.54 24.06 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.4 mp0 -132.02 157.61 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.409 ' C ' ' OE1' ' B' ' 39' ' ' GLU . 25.6 m -83.49 162.97 20.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' B' ' 38' ' ' THR . 2.0 pm0 -156.22 87.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 23.0 t -78.24 133.63 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.1 mp -125.67 110.01 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.622 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.64 129.49 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -82.49 141.95 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.572 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -92.33 151.53 20.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.572 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.89 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.05 -8.78 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.06 -10.82 34.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -82.54 -173.04 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -145.51 143.95 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 1.016 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -128.27 110.68 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' B' ' 15' ' ' LEU . 7.6 m -63.32 134.96 56.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.626 HD22 ' HA2' ' B' ' 17' ' ' GLY . 23.2 mt -110.9 165.86 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.448 ' H ' HG21 ' B' ' 59' ' ' VAL . 29.2 t30 -97.95 109.45 51.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' B' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 47.69 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.59 29.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -123.7 147.88 54.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' PRO . . . . . 0.47 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 18.2 Cg_endo -75.04 -13.57 21.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.639 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -96.97 -22.68 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.7 t -85.35 -4.49 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -108.18 2.51 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' HD2' ' B' ' 60' ' ' LYS . 8.2 mttp -115.0 -17.73 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' B' ' 20' ' ' LEU . 13.5 mt -89.88 -18.03 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 59' ' ' VAL . 41.9 mt -89.76 -59.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -48.72 -37.84 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.87 -38.02 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -57.3 -38.58 74.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.954 HD12 HG11 ' A' ' 28' ' ' VAL . 4.7 mp -68.42 -15.92 63.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.0 OUTLIER -101.42 -28.3 12.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' B' ' 68' ' ' LYS . 16.7 t30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 m -95.48 162.46 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -94.38 -4.64 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -141.19 126.62 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -98.4 -14.03 20.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' THR . 9.9 tt0 -132.43 168.62 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.1 p -153.38 165.11 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.966 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.6 mt -109.72 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.09 -14.86 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.971 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 138.47 -31.07 2.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.931 HD12 HD13 ' A' ' 15' ' ' LEU . 10.2 mt 55.85 164.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -54.38 137.64 41.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -86.6 11.64 12.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 7.8 mttm -90.93 -23.13 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -93.68 -34.34 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.714 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.6 mt -57.77 134.19 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -25.51 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.427 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -152.51 161.92 41.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 47.3 t -129.41 137.94 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 126.82 27.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.899 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.8 t -120.6 117.95 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 100.75 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -59.15 170.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.92 -158.54 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -118.43 -56.87 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 44.8 t -100.18 113.59 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 108.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 24.27 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.4 mp0 -131.51 157.44 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.3 m -78.73 160.74 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -146.31 102.05 3.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 63' ' ' ILE . 98.6 t -100.9 122.32 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' CD ' ' A' ' 39' ' ' GLU . 1.1 mp -124.73 107.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -95.62 133.13 40.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.7 m -82.02 141.46 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.32 150.77 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.544 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.46 -3.67 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.635 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -99.4 -8.19 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.57 -2.94 36.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.68 -173.79 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -145.03 144.41 30.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.966 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.48 113.66 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.62 140.23 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.971 HD22 ' HA2' ' A' ' 17' ' ' GLY . 16.4 mt -112.46 165.38 12.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.491 ' O ' HG11 ' A' ' 59' ' ' VAL . 59.2 t30 -100.77 116.45 64.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.94 2.0 7.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.23 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.446 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 11.6 t -118.07 141.72 29.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.64 11.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -84.16 -17.5 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.711 ' O ' HD12 ' A' ' 63' ' ' ILE . 25.5 t -81.02 -13.25 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -99.75 3.92 45.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -117.75 -15.66 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.812 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.3 mt -92.78 -17.26 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 59' ' ' VAL . 19.7 mt -92.55 -56.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -51.21 -36.76 43.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -73.24 -34.32 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.873 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.1 tmm? -58.55 -40.2 82.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.0 mp -67.12 -16.06 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -101.78 -29.97 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' LYS . 13.9 t-20 61.18 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' B' ' 39' ' ' GLU . 34.0 m -99.9 169.35 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -3.43 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.5 138.06 30.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.08 -14.14 15.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' THR . 6.5 tt0 -130.93 166.31 21.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.4 p -152.36 165.31 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.106 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.1 mt -103.71 157.88 16.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.6 tt0 -114.58 71.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' B' ' 62' ' ' ILE . . . 84.34 99.39 0.62 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.907 HG13 HD13 ' B' ' 15' ' ' LEU . 6.5 mm -112.42 157.6 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.409 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -58.34 131.63 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 11.7 tp -88.03 14.4 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -100.23 -8.86 23.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' B' ' 45' ' ' LYS . 1.8 m-20 -110.46 -27.47 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.899 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.7 OUTLIER -67.09 128.09 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -100.56 -24.6 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -165.42 165.57 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.993 HG11 HG12 ' B' ' 63' ' ' ILE . 44.3 t -125.53 136.47 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 9.8 tptm -125.41 120.69 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.544 HG11 ' CD1' ' A' ' 67' ' ' LEU . 59.8 t -107.19 117.55 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 81.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -47.96 163.1 0.3 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 161.21 39.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.04 -158.81 9.35 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.593 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.72 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.593 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -110.97 -54.26 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -110.92 121.26 44.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.339 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.71 23.67 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.44 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.0 OUTLIER -127.6 151.29 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' B' ' 54' ' ' PRO . 23.5 m -78.0 161.77 27.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' SG ' ' B' ' 9' ' ' CYS . 1.2 tp10 -140.19 69.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' B' ' 54' ' ' PRO . 62.6 t -69.15 121.36 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.514 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.2 mm -118.37 151.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.899 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -135.71 122.69 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.447 ' N ' ' O ' ' B' ' 25' ' ' SER . 17.7 m -74.76 142.19 44.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -94.26 154.18 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 1.3 mptm? -74.25 -6.39 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.9 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.95 -12.4 31.97 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -80.61 -170.4 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -145.45 143.93 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 1.106 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -123.66 107.18 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.514 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.0 OUTLIER -63.13 138.77 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' B' ' 59' ' ' VAL . 23.9 mt -109.44 165.89 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.847 ' O ' HG21 ' B' ' 59' ' ' VAL . 19.3 t30 -96.82 110.29 52.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.556 ' HB3' HG23 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.05 46.5 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.51 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 28.5 t -127.62 147.56 63.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.568 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -99.36 -19.15 17.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.847 HG21 ' O ' ' B' ' 53' ' ' ASN . 3.6 t -75.77 -19.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.545 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -95.29 3.67 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -117.23 -15.85 10.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.59 HD11 ' HA2' ' B' ' 17' ' ' GLY . 10.7 mt -92.99 -16.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.993 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -94.3 -55.69 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.93 -34.89 60.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 6.3 mtpt -72.73 -35.32 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.512 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -62.93 -38.94 92.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.899 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.4 mp -70.69 -15.41 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.63 -27.2 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 6.2 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 57.3 m -83.85 160.21 21.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -91.77 -5.36 53.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 132.1 20.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -92.24 -18.79 22.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 14' ' ' THR . 9.4 tt0 -135.15 168.19 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.6 p -151.45 165.4 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.439 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.893 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 17.6 mt -99.43 -178.17 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 4.7 tp60 -103.41 -14.21 16.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.481 ' CA ' ' CD1' ' A' ' 62' ' ' ILE . . . 134.26 100.64 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 15' ' ' LEU . 24.2 mt -85.0 158.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -55.42 141.57 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HG2' ' A' ' 66' ' ' MET . 15.6 tp -78.34 0.68 24.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -80.3 -4.59 53.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' OD1' HD21 ' A' ' 44' ' ' LEU . 5.7 m-80 -115.73 -57.58 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.744 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -42.05 129.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.27 -24.45 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.431 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 0.3 OUTLIER -144.56 162.68 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.562 HG23 ' HE2' ' A' ' 66' ' ' MET . 25.5 t -129.79 138.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.02 123.95 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.944 HG11 ' CD1' ' B' ' 67' ' ' LEU . 24.9 t -119.92 118.54 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.29 98.73 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -57.65 171.54 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.05 21.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.46 -159.66 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.626 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.1 p-80 -110.75 -53.52 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.08 124.42 52.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.326 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.17 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.78 152.09 51.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.224 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 33.1 m -82.02 162.62 22.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.71 86.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 63' ' ' ILE . 43.4 t -76.72 128.01 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 40' ' ' VAL . 2.7 mm -124.22 131.53 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -119.8 134.14 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -87.79 135.4 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.9 149.93 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.09 -4.38 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.33 -8.94 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.79 -10.02 32.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -173.05 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.242 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.57 144.54 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -128.23 108.88 10.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.876 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.1 m -66.31 137.19 56.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -114.86 156.38 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.489 ' O ' HG21 ' A' ' 59' ' ' VAL . 9.6 t-20 -93.21 123.59 60.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.99 1.21 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -108.56 14.72 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -111.77 145.15 32.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.98 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -27.14 68.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.2 t -69.51 -16.17 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.79 3.66 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -116.39 -15.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' ' CA ' ' A' ' 17' ' ' GLY . 15.1 mt -94.15 -16.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 40' ' ' VAL . 16.5 mt -93.76 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 62.8 mt-10 -51.8 -36.39 47.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -73.65 -33.52 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.667 ' HG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.23 -36.47 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD12 HG11 ' B' ' 28' ' ' VAL . 7.7 mp -69.66 -15.69 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.2 mmtt -103.78 -29.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 62.15 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 m -97.4 141.02 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -5.99 47.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.61 134.97 24.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -102.37 -15.02 16.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.463 ' O ' HG23 ' B' ' 14' ' ' THR . 6.8 tt0 -135.08 168.24 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -152.81 165.57 34.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.799 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 13.2 mt -103.33 176.63 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.0 tm0? -94.61 -11.01 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.55 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 126.63 95.25 0.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.9 mt -77.61 163.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.493 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -51.75 135.65 28.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' B' ' 66' ' ' MET . 36.3 tp -80.36 3.21 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -86.92 -4.33 59.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -112.91 -44.93 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.772 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.9 OUTLIER -53.26 135.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -115.02 -25.64 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.58 159.11 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.955 HG11 HG12 ' B' ' 63' ' ' ILE . 42.9 t -133.99 139.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -134.65 127.04 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 67' ' ' LEU . 2.7 t -108.99 114.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -108.17 86.58 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.475 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -54.57 171.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.46 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -75.02 -174.13 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.78 -158.95 15.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.6 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.6 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.78 -56.56 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -113.95 119.27 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 108.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.6 24.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 11.8 mt-30 -129.37 159.09 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.499 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 14.9 m -87.02 160.34 18.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -147.28 91.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.7 HG22 HG22 ' B' ' 28' ' ' VAL . 54.2 t -87.0 109.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.851 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.4 mm -106.84 133.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.772 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -120.97 130.08 53.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 33.4 m -86.68 138.68 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -87.8 149.02 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.18 -4.41 32.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.0 OUTLIER -100.14 -7.5 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.79 -8.38 36.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' B' ' 44' ' ' LEU . 43.9 mt-30 -82.46 -175.95 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -146.75 144.59 29.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.63 112.16 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.851 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.1 m -69.01 137.69 53.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.55 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.3 mt -110.11 165.58 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.884 ' O ' HG21 ' B' ' 59' ' ' VAL . 8.3 t-20 -94.12 120.73 65.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.499 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.08 23.57 13.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.481 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 4.7 t -116.83 143.31 31.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.3 14.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.3 tpp -76.0 -20.55 57.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.884 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.88 -20.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.69 4.06 54.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -116.72 -15.82 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.785 HG23 HD13 ' B' ' 20' ' ' LEU . 13.5 mt -92.6 -16.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.955 HG12 HG11 ' B' ' 26' ' ' VAL . 14.4 mt -92.77 -55.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -53.32 -36.07 60.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 22.4 mmtm -76.34 -27.57 56.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.978 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.2 mmm -70.25 -38.67 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.944 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -72.3 -15.53 61.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 -27.22 12.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.9 t-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 65.6 m -78.01 157.49 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -2.06 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.68 133.3 22.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.8 -16.13 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' THR . 3.4 tm0? -134.37 168.2 19.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -151.99 165.46 34.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.849 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.4 mt -107.31 140.08 40.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 16.9 tt0 -64.95 -11.02 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 99.13 1.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 9.2 mt -94.39 162.48 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.3 t-160 -48.14 136.48 11.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.876 HD13 ' CG2' ' A' ' 62' ' ' ILE . 15.1 tp -80.67 2.77 24.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -19.49 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.612 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.1 m-80 -102.87 -43.72 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.755 ' HB ' HD12 ' A' ' 20' ' ' LEU . 5.6 mt -56.22 133.69 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.78 -24.28 9.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.92 157.15 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.943 HG11 HG12 ' A' ' 63' ' ' ILE . 38.6 t -127.09 134.43 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -128.75 127.02 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.978 HG23 HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -107.32 133.34 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 30' ' ' SER . 2.2 tmtt? -124.84 83.73 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -46.51 174.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 166.49 29.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.48 -161.86 8.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.03 8.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.2 p-80 -113.74 -53.04 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.55 124.56 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.256 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.72 23.78 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.2 mt-30 -125.34 161.25 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -82.68 161.48 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.817 ' CD ' HD11 ' A' ' 41' ' ' ILE . 1.9 tt0 -149.06 106.13 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 28' ' ' VAL . 72.0 t -102.28 115.91 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.817 HD11 ' CD ' ' A' ' 39' ' ' GLU . 3.6 mp -119.42 118.37 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.81 143.45 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m -92.73 144.24 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -90.33 150.8 21.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -74.87 -3.37 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.453 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.51 -8.46 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.93 32.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.08 -172.59 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -145.54 144.79 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.849 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.62 112.11 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -70.63 139.46 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 108.337 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 59' ' ' VAL . 23.9 mt -111.01 165.19 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 42.1 t30 -95.85 111.22 55.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HB3' HG23 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 47.84 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -166.83 30.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -123.03 149.23 56.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.45 18.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 62' ' ' ILE . 20.3 tpp -96.29 -33.55 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.3 t -65.55 -18.24 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 6.2 mmmm -95.13 3.26 54.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.1 mttm -118.92 -12.13 9.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.876 ' CG2' HD13 ' A' ' 20' ' ' LEU . 14.0 mt -94.45 -16.34 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.943 HG12 HG11 ' A' ' 26' ' ' VAL . 15.5 mt -95.9 -56.74 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 71.6 mt-10 -51.6 -28.94 15.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -84.04 -32.17 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.787 ' HG2' HD11 ' A' ' 20' ' ' LEU . 2.4 mmm -63.49 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.751 HD11 HG21 ' B' ' 28' ' ' VAL . 8.7 mp -71.12 -14.97 62.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -104.6 -23.74 13.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LYS . 26.3 t-20 61.71 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.34 158.7 15.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -4.48 58.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 134.0 24.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.85 -18.23 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.97 169.36 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -150.26 165.61 32.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.988 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.0 mt -99.21 159.89 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -89.79 -14.03 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.53 99.5 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 9.7 mt -99.47 163.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.49 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -57.09 133.82 55.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.831 HD11 ' HG2' ' B' ' 66' ' ' MET . 10.2 tp -79.86 1.75 25.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -69.69 -9.51 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HB3' HD21 ' B' ' 44' ' ' LEU . 10.7 m-80 -112.2 -43.65 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.63 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.6 mt -52.36 133.36 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.64 -25.47 8.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.18 164.83 34.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.608 ' HB ' HG12 ' A' ' 28' ' ' VAL . 42.4 t -126.83 143.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 19.5 tptt -132.15 120.71 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.751 HG21 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -114.67 116.21 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.25 97.65 5.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -56.85 176.46 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -74.99 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.54 -161.88 11.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.05 1.45 7.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -114.53 -49.57 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -114.63 118.1 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.295 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.41 24.17 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -129.43 159.22 36.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -81.28 158.69 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -140.87 81.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.778 ' O ' HD13 ' B' ' 41' ' ' ILE . 39.9 t -80.4 126.35 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.806 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.64 156.68 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -143.35 133.58 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -85.33 141.33 30.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -89.56 150.42 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.99 38.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.36 -8.18 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.61 -8.83 34.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.11 -173.28 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -145.5 144.49 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.988 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.13 111.73 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.806 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.79 139.37 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' B' ' 59' ' ' VAL . 19.9 mt -112.04 156.62 21.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -90.93 120.28 68.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.495 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.5 Cg_endo -74.96 1.06 8.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.9 10.6 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t -107.91 143.01 26.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -35.52 3.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -28.11 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.653 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -69.47 -14.48 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.3 OUTLIER -97.54 3.53 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 22.6 mttt -117.63 -15.52 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.603 ' CG2' HD13 ' B' ' 20' ' ' LEU . 16.7 mt -92.45 -16.45 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.674 HD11 HG11 ' B' ' 40' ' ' VAL . 46.3 mt -95.52 -54.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 58.2 mt-10 -58.03 -34.29 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.7 -29.28 62.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -66.27 -39.64 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.905 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.6 mp -69.88 -15.9 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -102.64 -27.04 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 21.5 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -90.65 148.38 22.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.72 -5.41 50.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 127.16 16.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mt -92.44 -20.15 21.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 14' ' ' THR . 1.6 tp60 -129.11 170.45 13.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.1 p -158.83 165.65 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.997 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.1 mt -99.07 175.83 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tm0? -108.73 -15.37 14.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.12 102.23 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -101.73 158.13 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -51.34 138.97 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 66' ' ' MET . 10.2 tp -85.1 7.95 19.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -85.48 -22.63 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.1 m-80 -96.07 -39.86 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.3 mt -56.93 132.85 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -111.42 -25.05 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 162.16 29.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.934 HG23 ' SD ' ' A' ' 66' ' ' MET . 48.3 t -124.38 135.81 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 25' ' ' SER . 11.2 tptm -125.09 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.609 HG11 HD12 ' B' ' 67' ' ' LEU . 18.2 t -109.75 116.62 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.48 82.03 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -42.43 162.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.54 -157.61 8.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -114.1 -56.1 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 43.0 t -103.68 117.59 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 24.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 3.9 mp0 -134.36 153.55 51.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 4.1 m -73.32 156.73 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -134.93 81.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -77.37 123.72 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mt -126.89 111.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -99.26 131.4 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -85.15 149.96 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -5.26 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.48 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.73 -9.49 34.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.8 mt-30 -82.96 -176.52 6.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -142.64 144.06 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.997 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.55 109.65 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.75 138.11 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.7 mt -112.74 154.45 26.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -89.38 115.93 65.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.79 5.94 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -106.28 145.43 30.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -32.12 5.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.14 -19.2 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.805 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.0 t -84.24 -3.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.01 3.86 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -15.66 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 58' ' ' MET . 15.9 mt -92.91 -16.65 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 26' ' ' VAL . 18.0 mt -94.85 -56.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.94 -25.09 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -89.1 -29.61 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.934 ' SD ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -54.95 -38.05 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.59 ' HG ' HG11 ' B' ' 28' ' ' VAL . 5.8 mp -68.61 -14.23 62.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -105.13 -32.68 8.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.1 t30 61.33 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.0 m -104.08 146.21 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -2.95 28.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 129.46 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.95 -15.23 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.526 ' O ' HG23 ' B' ' 14' ' ' THR . 0.5 OUTLIER -133.86 169.42 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -154.7 165.38 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.971 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.9 mt -94.0 173.35 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.4 tm0? -111.72 -14.75 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.88 98.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 HD13 ' B' ' 15' ' ' LEU . 2.9 mm -103.61 161.13 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.46 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -56.27 131.11 47.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.871 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.5 tm? -87.84 15.48 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -95.21 -24.67 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.51 ' HB3' HD21 ' B' ' 44' ' ' LEU . 2.5 m-20 -91.41 -32.91 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.638 ' HB ' HD22 ' B' ' 20' ' ' LEU . 0.9 OUTLIER -56.71 135.6 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -112.96 -25.3 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.73 162.82 39.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.525 HG11 HG12 ' B' ' 63' ' ' ILE . 24.2 t -125.22 130.2 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.0 tptp -123.86 122.06 37.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.59 HG11 ' HG ' ' A' ' 67' ' ' LEU . 76.0 t -115.7 124.95 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 90.0 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.7 OUTLIER -50.71 -179.76 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.3 Cg_endo -74.98 -175.13 2.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.49 -157.53 9.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PRO . . . . . 0.649 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.99 1.49 7.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -120.1 -60.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.8 OUTLIER -97.54 116.78 30.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.261 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.22 24.65 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 31' ' ' PRO . 48.1 mm-40 -118.14 -129.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -151.97 160.81 43.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 38' ' ' THR . 1.9 tp10 -141.94 102.2 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.697 HG11 HD11 ' B' ' 63' ' ' ILE . 74.5 t -104.23 116.08 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 mp -125.67 126.25 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.562 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -112.2 135.82 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.5 m -84.5 141.09 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -89.38 150.35 22.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LYS . . . . . 0.51 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -73.68 -4.78 36.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.38 -8.93 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.14 -7.86 32.97 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.452 1.095 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -84.36 -172.81 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -146.47 145.0 30.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.49 110.09 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -69.58 137.03 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' B' ' 15' ' ' LEU . 23.2 mt -110.84 164.19 13.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.549 ' H ' HG21 ' B' ' 59' ' ' VAL . 63.5 t30 -103.33 116.6 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.28 11.71 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 21.3 t -116.61 144.23 32.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.13 10.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.453 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -75.41 -22.05 57.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 59' ' ' VAL . . . . . 0.667 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.5 t -81.06 -11.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.61 3.57 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -117.6 -15.55 10.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.805 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.1 mt -90.71 -17.91 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ILE . . . . . 0.697 HD11 HG11 ' B' ' 40' ' ' VAL . 16.2 mt -92.55 -57.8 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.78 -36.33 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -69.87 -38.51 76.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.7 mmm -56.04 -41.33 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.609 HD12 HG11 ' A' ' 28' ' ' VAL . 6.6 mp -66.07 -15.81 63.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -101.4 -23.75 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -115.06 85.01 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.77 167.36 9.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -135.42 -144.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 m -93.86 152.19 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.43 7.31 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.1 115.03 19.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 108.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.36 -25.86 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' THR . 4.8 tt0 -134.83 178.35 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.0 p -158.56 159.73 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.052 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mt -122.05 134.71 54.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.5 tt0 -102.55 68.33 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.49 104.69 2.9 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 15' ' ' LEU . 4.9 mm -131.52 159.79 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.9 135.17 49.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.644 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.9 tp -85.11 8.77 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -90.74 -24.04 20.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 44' ' ' LEU . 2.0 m-20 -91.31 -40.75 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.49 127.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.65 -19.14 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.06 156.63 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -128.56 133.05 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.58 123.68 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.823 HG11 ' CD1' ' B' ' 67' ' ' LEU . 25.6 t -116.15 117.27 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 91.42 3.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.464 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -48.29 173.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.39 -160.36 8.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -111.54 -52.97 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.639 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.59 124.7 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.12 24.17 3.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.31 157.81 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 17.1 m -82.47 161.87 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -146.61 79.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.738 HG11 HD11 ' A' ' 63' ' ' ILE . 84.6 t -72.79 122.08 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.2 mt -122.61 116.94 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.72 140.06 41.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -88.21 140.43 29.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -87.45 153.28 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.591 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -77.05 -0.6 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.83 -8.13 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.08 -4.97 33.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -88.39 -172.25 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -144.68 145.4 31.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.052 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.08 111.66 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' LEU . 7.1 m -70.35 137.36 50.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.7 mt -105.08 164.04 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' HG11 ' A' ' 59' ' ' VAL . 26.4 t30 -97.85 110.19 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 48.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.49 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 t -126.09 147.31 58.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -93.5 -25.49 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.738 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.7 t -71.74 -15.4 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 4.14 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -116.86 -15.35 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -16.87 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.9 mt -93.77 -55.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -52.7 -36.27 56.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 2.9 mtmt -70.62 -38.87 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.702 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.6 mmm -55.64 -38.06 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.789 HD12 HG11 ' B' ' 28' ' ' VAL . 8.1 mp -67.47 -16.5 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.4 mptt -100.68 -28.81 12.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 20.3 t30 62.03 -78.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.5 -104.62 3.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -70.84 -172.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.57 88.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -113.08 83.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.98 166.55 10.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -134.4 -145.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.6 m -91.46 156.4 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -5.21 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 126.91 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 -21.59 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.58 169.35 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -149.57 165.68 31.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.032 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 20.1 mt -97.55 161.25 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 9.2 tt0 -93.33 -12.26 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.96 98.0 0.49 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.4 mt -100.21 163.19 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.492 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -51.66 135.13 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.986 HD11 ' HG2' ' B' ' 66' ' ' MET . 34.8 tp -84.01 7.24 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -81.28 -19.25 43.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.548 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.0 m-20 -97.74 -40.94 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.723 ' HB ' HD12 ' B' ' 20' ' ' LEU . 2.7 mt -57.77 128.81 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -20.23 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.36 154.5 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 1.023 HG11 HG12 ' B' ' 63' ' ' ILE . 37.3 t -128.9 132.0 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.76 126.82 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 40' ' ' VAL . 2.2 t -113.29 124.73 70.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -123.83 86.13 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -46.71 173.51 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -74.99 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.06 -157.59 8.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.99 0.85 8.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.9 p-80 -116.59 -58.19 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 44.1 t -101.71 114.53 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.54 24.4 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 8.9 mm100 -134.18 155.53 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.2 m -82.3 156.3 24.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.86 96.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 28' ' ' VAL . 64.1 t -86.25 127.61 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -125.38 116.83 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.65 145.16 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -93.95 131.99 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -78.69 150.5 32.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.513 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.65 -3.83 33.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.2 -8.75 24.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.96 -6.92 32.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -86.37 -172.55 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -144.24 144.54 31.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 1.032 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -136.33 114.94 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.17 143.05 43.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.6 mt -111.56 165.7 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.808 ' O ' HG21 ' B' ' 59' ' ' VAL . 6.3 t-20 -97.67 118.03 64.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.92 1.77 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.67 21.84 15.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.513 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 6.0 t -119.4 140.43 29.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -10.06 20.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.528 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -90.6 -13.6 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.808 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.6 t -81.3 -17.39 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -93.74 3.41 55.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -16.18 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.747 HG23 HD13 ' B' ' 20' ' ' LEU . 17.7 mt -90.28 -16.93 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 1.023 HG12 HG11 ' B' ' 26' ' ' VAL . 16.5 mt -93.23 -58.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -50.35 -33.87 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.9 OUTLIER -73.95 -37.63 64.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.986 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.1 mmm -59.96 -42.69 94.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.823 ' CD1' HG11 ' A' ' 28' ' ' VAL . 10.1 mp -67.14 -15.6 63.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 70' ' ' GLY . 25.4 mtpt -101.78 -26.6 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 65' ' ' LYS . 8.2 t-20 61.67 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -152.95 137.97 6.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.47 -59.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 90.2 p -170.65 88.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -113.26 84.84 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -105.57 161.92 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -135.11 -145.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -91.98 147.71 22.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -5.32 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 134.67 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.25 -14.98 16.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -135.3 166.81 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -151.96 164.64 36.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.928 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 mt -94.86 -179.6 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -113.82 -16.12 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.02 100.39 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 23' ' ' ILE . 7.1 mm -96.29 161.86 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.37 138.81 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.9 tp -77.19 -0.63 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -85.52 -12.79 50.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.6 m-20 -104.57 -46.22 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD12 HG22 ' A' ' 18' ' ' ILE . 1.3 mt -59.52 132.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 -14.97 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.48 161.72 30.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 63' ' ' ILE . 75.3 t -128.4 142.99 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -140.07 126.59 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.727 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.5 t -115.91 100.7 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.1 82.76 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' ' HE1' ' B' ' 66' ' ' MET . 0.6 OUTLIER -45.44 170.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -74.95 178.42 7.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.13 -157.69 8.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -117.53 -56.57 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.0 t -103.11 116.93 33.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.79 24.28 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 26.1 mm-40 -137.21 152.4 49.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m -78.46 165.15 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -155.9 83.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 28' ' ' VAL . 64.1 t -68.08 128.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mt -128.99 108.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -98.71 141.21 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -88.42 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.39 149.7 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -3.29 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.01 -9.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.5 -8.84 30.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -85.25 -170.85 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -145.1 145.18 31.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.58 111.81 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.713 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -71.87 139.12 48.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 15' ' ' LEU . 12.9 mt -112.53 160.44 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.06 118.73 66.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.46 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.45 14.48 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 t -114.99 145.41 33.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -41.43 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -24.05 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 63' ' ' ILE . 17.0 t -76.3 -2.67 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.29 3.11 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -16.23 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -90.35 -16.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 59' ' ' VAL . 17.2 mt -93.53 -57.31 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -53.04 -33.21 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 11.6 mttp -73.99 -35.88 64.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.626 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.5 mmm -58.01 -37.39 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.8 mp -70.06 -15.38 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.77 -28.65 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.7 t-20 61.6 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 136.07 -114.68 1.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -73.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.3 p -170.13 68.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.243 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -114.75 84.61 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.5 mp -106.01 169.2 8.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -136.06 -144.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 46.1 m -98.11 169.85 9.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -101.82 -5.29 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.66 135.83 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -15.98 17.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.457 ' O ' HG23 ' B' ' 14' ' ' THR . 0.6 OUTLIER -135.43 169.07 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.457 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.0 OUTLIER -152.63 165.41 35.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.777 HD12 ' HB1' ' B' ' 50' ' ' ALA . 95.7 mt -103.65 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.6 -13.03 52.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.09 99.74 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.77 ' CG1' HD13 ' B' ' 15' ' ' LEU . 4.7 mm -78.74 154.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.8 138.56 10.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.495 HD11 ' HG2' ' B' ' 66' ' ' MET . 47.4 tp -83.01 5.69 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -23.1 20.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.489 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.8 m-20 -94.1 -49.32 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -47.11 128.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.71 -25.03 9.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.5 OUTLIER -147.13 159.81 43.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' B' ' 66' ' ' MET . 25.6 t -127.42 133.44 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 17.9 tptp -126.79 120.7 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.547 HG11 ' CD1' ' A' ' 67' ' ' LEU . 22.3 t -113.77 118.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.69 90.94 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.6 OUTLIER -56.01 171.13 0.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.98 170.8 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.84 -160.72 8.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.57 7.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.14 -53.37 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.32 123.12 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.38 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 22.0 mm-40 -126.09 153.1 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -81.34 158.42 24.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.56 81.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.815 ' O ' HD13 ' B' ' 41' ' ' ILE . 60.3 t -79.88 124.48 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.815 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.3 mm -126.41 152.93 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -141.69 129.63 21.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.8 m -81.62 139.48 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.505 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -87.92 149.97 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.505 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.62 -4.97 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -98.2 -8.34 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.36 -5.91 35.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.1 -172.9 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 145.03 31.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.777 ' HB1' HD12 ' B' ' 15' ' ' LEU . . . -131.53 111.84 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.18 136.62 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 23.5 mt -110.85 158.83 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.469 HD21 ' HB3' ' B' ' 55' ' ' ALA . 66.2 t30 -93.08 120.07 67.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.494 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.469 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -106.16 15.01 26.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.0 t -114.53 144.49 31.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.667 ' HG3' HD11 ' B' ' 62' ' ' ILE . 32.9 tpp -59.06 -26.73 64.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.739 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -70.02 -16.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 3.9 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -116.62 -15.98 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.667 HD11 ' HG3' ' B' ' 58' ' ' MET . 15.3 mt -93.31 -16.57 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.739 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.0 mt -93.68 -55.57 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -53.12 -35.8 60.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 69' ' ' ASN . 10.5 mmtt -71.11 -36.78 72.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.706 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.5 mmm -59.8 -38.94 83.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.727 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -69.44 -15.6 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.7 OUTLIER -103.33 -23.64 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.6 t30 61.94 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 125.33 171.21 13.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -82.65 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 36.1 p -176.1 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.07 85.3 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.75 168.12 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -135.81 -143.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.6 m -96.8 161.48 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.44 -3.03 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 133.05 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.53 -15.5 18.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -134.69 169.85 16.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.9 p -153.74 165.17 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.901 HD13 HD13 ' A' ' 18' ' ' ILE . 4.0 mt -104.09 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -97.03 -14.74 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.52 102.63 0.96 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.901 HD13 HD13 ' A' ' 15' ' ' LEU . 3.9 mp -95.29 163.89 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -43.97 136.95 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.605 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.71 12.57 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -89.97 -22.19 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.3 m-20 -94.67 -39.84 10.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.9 mt -55.42 133.95 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -111.08 -23.56 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.47 161.32 35.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.994 HG11 HG12 ' A' ' 63' ' ' ILE . 41.0 t -131.45 136.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -129.54 126.6 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.914 HG11 ' HG ' ' B' ' 67' ' ' LEU . 53.8 t -114.67 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 86.2 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -47.32 171.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.02 171.92 17.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 -161.75 9.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.49 7.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -112.82 -51.37 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.647 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 126.13 54.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.25 23.98 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 34.3 mm-40 -130.18 156.26 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.7 m -83.26 162.52 21.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -144.96 79.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' A' ' 28' ' ' VAL . 55.4 t -73.27 114.64 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.18 117.23 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.26 143.7 36.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -91.87 139.77 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -87.54 150.51 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.35 -3.95 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -99.8 -7.69 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.94 -5.2 36.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -87.36 -172.7 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -145.66 145.58 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.79 113.52 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.22 138.54 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 27.9 mt -109.57 165.46 11.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 60.1 t30 -92.27 112.29 54.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 48.17 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.93 32.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.8 151.99 58.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.15 10.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.562 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -82.88 -17.93 42.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.697 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.9 t -78.38 -9.77 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -101.99 2.62 38.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 -14.93 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.836 HG23 HD23 ' A' ' 20' ' ' LEU . 12.5 mt -90.69 -17.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.994 HG12 HG11 ' A' ' 26' ' ' VAL . 15.9 mt -93.85 -57.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -53.21 -29.98 35.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -34.85 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.863 ' HG2' HD21 ' A' ' 20' ' ' LEU . 2.5 mmm -62.0 -35.28 78.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 63' ' ' ILE . 9.0 mp -71.41 -16.01 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -102.94 -31.28 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.2 t30 61.75 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 126.15 -125.69 5.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 72' ' ' SER . 4.3 mtpt -94.01 -86.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER 79.94 108.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -85.29 56.63 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 1.1 mp -105.02 167.9 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -135.36 -143.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m -100.38 151.33 21.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -3.73 49.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 131.74 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -93.94 -17.76 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.509 ' O ' HG23 ' B' ' 14' ' ' THR . 0.7 OUTLIER -134.22 170.81 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -154.7 165.12 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.022 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 3.8 mt -97.87 176.61 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' B' ' 16' ' ' GLN . 4.4 tp60 -110.77 -13.37 14.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.27 96.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' B' ' 18' ' ' ILE . 4.1 mm -91.74 162.36 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.48 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -58.63 137.41 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' B' ' 66' ' ' MET . 48.2 tp -86.59 10.58 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -92.82 -13.03 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.591 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.1 m-20 -103.87 -49.1 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.805 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.8 OUTLIER -45.97 129.25 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.05 -25.05 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -147.49 163.05 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.743 HG11 HG23 ' B' ' 63' ' ' ILE . 25.2 t -131.82 132.46 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.9 tptp -125.51 120.5 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -111.6 115.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -116.2 87.4 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.474 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.2 p -48.84 167.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.77 -160.78 9.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.595 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.595 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.11 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.07 48.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.41 24.5 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.414 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 6.9 mm100 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 28.7 m -75.72 163.56 27.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 9' ' ' CYS . 0.4 OUTLIER -139.98 83.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.803 HG11 HD11 ' B' ' 63' ' ' ILE . 97.1 t -81.27 122.17 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.6 mt -125.22 111.7 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.805 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -100.48 130.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.9 m -81.95 144.26 31.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -93.17 149.94 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.515 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.51 -4.8 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.96 -10.3 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.02 -12.44 29.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 30.2 mt-30 -82.86 -175.18 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -143.61 145.83 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 1.022 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.92 110.04 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.661 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -67.63 138.28 56.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' B' ' 15' ' ' LEU . 25.1 mt -110.65 165.29 11.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.445 ' H ' HG21 ' B' ' 59' ' ' VAL . 51.0 t30 -100.52 116.72 64.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.08 1.02 8.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.21 4.56 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -109.82 147.84 36.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.05 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.59 -20.55 48.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.758 ' O ' HD12 ' B' ' 63' ' ' ILE . 35.3 t -82.84 -3.51 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -107.38 3.55 25.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -15.68 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.545 HD12 ' O ' ' B' ' 58' ' ' MET . 15.3 mt -92.47 -16.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.803 HD11 HG11 ' B' ' 40' ' ' VAL . 44.0 mt -93.63 -55.68 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.06 -35.47 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.6 OUTLIER -70.8 -35.82 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.77 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.4 tmm? -57.91 -38.14 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.914 ' HG ' HG11 ' A' ' 28' ' ' VAL . 7.6 mp -69.51 -15.23 63.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 1.9 ttmt -103.64 -26.63 12.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 9.4 t-20 62.41 -77.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -130.88 137.63 9.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' SER . 6.6 mttt -68.98 -173.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LYS . 0.1 OUTLIER 80.83 -53.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.97 77.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.3 mp -105.0 162.25 13.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -135.7 -143.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 35.6 m -94.65 154.5 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 5.74 50.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.74 114.46 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.08 -25.82 23.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.624 ' O ' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -135.42 178.46 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.4 p -158.66 160.32 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.108 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -117.96 139.9 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.7 tt0 -98.97 66.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD11 ' A' ' 62' ' ' ILE . . . 93.53 98.71 1.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 HG13 HD13 ' A' ' 15' ' ' LEU . 2.3 mm -118.79 155.05 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.06 132.93 55.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.56 HD11 ' HG2' ' A' ' 66' ' ' MET . 8.9 tp -86.82 13.35 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -89.88 -17.44 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' CG ' HD21 ' A' ' 44' ' ' LEU . 6.5 m-20 -98.77 -39.97 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -57.55 129.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -25.1 8.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.455 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.96 164.87 29.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 29.5 t -131.47 134.98 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' B' ' 27' ' ' LYS . 8.6 tptt -131.47 120.99 23.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.675 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.4 t -113.11 121.65 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -124.07 87.05 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -48.17 176.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -74.96 174.83 12.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.49 -162.87 10.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -112.71 -49.63 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 120.4 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.03 24.07 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 18.6 mm-40 -126.12 160.34 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 32.6 m -76.49 161.88 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -144.76 78.12 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.58 124.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.3 mt -128.11 119.32 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -108.72 132.68 53.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 17.1 m -82.89 145.52 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -93.84 150.75 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.538 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.98 -4.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.9 -9.14 24.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.88 -11.81 32.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -82.48 -172.93 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -144.64 145.29 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.108 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.43 110.59 11.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.4 m -67.61 140.25 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.596 ' HB3' HG22 ' A' ' 59' ' ' VAL . 50.8 mt -104.27 165.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.741 ' O ' HG21 ' A' ' 59' ' ' VAL . 12.9 t30 -98.79 109.05 52.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 45.84 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.97 25.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 44.0 t -128.78 145.12 55.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.606 ' O ' HD12 ' A' ' 62' ' ' ILE . 4.5 tpp -101.71 -16.16 16.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 53' ' ' ASN . 3.1 t -80.23 -20.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.7 3.79 54.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.22 -16.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 58' ' ' MET . 20.2 mt -91.32 -17.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.8 mt -92.5 -58.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -48.49 -35.95 14.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.2 mmtt -71.93 -38.08 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.56 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.1 mmm -57.57 -39.71 77.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' B' ' 28' ' ' VAL . 6.5 mp -68.08 -15.58 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.29 -30.32 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t-20 61.73 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 150.19 -122.69 1.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -60.25 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -56.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.7 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.416 ' N ' HD12 ' B' ' 7' ' ' LEU . 40.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.98 55.15 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.422 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.0 mp -104.71 167.79 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -135.69 -142.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 64.3 m -101.73 145.88 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -81.07 -2.27 47.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 137.0 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.06 -15.13 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -135.16 168.17 19.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.4 p -152.5 163.94 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.872 HD13 HG13 ' B' ' 18' ' ' ILE . 10.2 mt -95.19 -177.44 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -112.6 -13.71 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.63 101.38 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.872 HG13 HD13 ' B' ' 15' ' ' LEU . 2.5 mm -97.56 159.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.749 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.482 ' CG ' ' HD3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -61.88 145.82 51.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' B' ' 66' ' ' MET . 12.1 tp -85.48 7.61 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -88.84 -20.93 24.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.436 ' OD1' HD21 ' B' ' 44' ' ' LEU . 8.3 m-20 -98.2 -49.59 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.619 HD12 HG22 ' B' ' 18' ' ' ILE . 1.5 mt -55.45 128.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -18.06 11.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.77 158.9 42.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' B' ' 66' ' ' MET . 26.0 t -129.25 133.07 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.19 125.62 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 40' ' ' VAL . 45.8 t -118.51 104.44 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.06 87.31 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -52.74 169.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.48 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -75.01 168.5 24.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.55 -156.9 7.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.629 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 2.89 6.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.629 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.2 p-80 -113.23 -53.94 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 128.19 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.346 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' B' ' 37' ' ' GLN . . . -97.35 23.13 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.48 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 2.9 mt-30 -131.33 158.3 41.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -89.75 162.35 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -155.09 95.56 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 28' ' ' VAL . 93.2 t -82.07 123.0 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.39 107.44 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.18 138.57 36.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -86.46 135.71 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.521 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -83.04 150.46 26.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.521 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.51 -3.5 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.08 -8.28 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.12 -9.87 33.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.07 -172.56 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -144.21 144.72 31.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.82 114.15 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -74.86 138.93 42.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 15' ' ' LEU . 21.1 mt -111.81 161.26 16.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.486 ' O ' HG11 ' B' ' 59' ' ' VAL . 51.2 t30 -95.88 118.56 65.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.4 8.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.02 1.65 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.424 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 15.0 t -99.58 143.41 26.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.0 Cg_endo -75.05 -29.79 7.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -20.68 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.4 t -78.92 -5.13 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 3.19 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -15.9 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 16.4 mt -91.71 -16.47 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.785 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.1 mt -93.97 -54.64 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.32 -34.05 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 9.8 mmtp -72.9 -33.71 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.712 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.0 OUTLIER -59.18 -37.67 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.675 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.4 mp -69.06 -15.37 63.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -103.45 -29.99 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 25.0 t-20 61.86 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -48.27 169.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -106.11 -68.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.85 103.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -114.51 84.81 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.74 166.67 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -136.55 -144.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.1 m -97.1 169.26 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.335 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -1.86 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 119.82 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.59 -14.89 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -127.8 173.32 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -158.45 165.72 33.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.096 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.3 mt -104.89 -178.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -90.39 -13.16 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 148.24 -31.97 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.967 HG13 HD13 ' A' ' 15' ' ' LEU . 16.1 mm 55.6 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -72.3 141.25 48.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 66' ' ' MET . 7.8 tp -81.28 -0.33 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -86.95 -8.44 57.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.4 m-20 -108.33 -38.86 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.7 132.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.49 -25.11 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -148.03 157.05 43.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.711 HG11 HG12 ' A' ' 63' ' ' ILE . 39.5 t -127.59 136.11 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -132.45 125.64 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.754 HG21 ' HG ' ' B' ' 67' ' ' LEU . 0.5 OUTLIER -113.65 125.5 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 87.68 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -53.97 174.84 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.99 176.58 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.34 -160.93 9.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.25 7.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.47 -49.28 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 124.32 51.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.58 24.68 6.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 8.7 mm-40 -128.4 162.16 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 39' ' ' GLU . 24.6 m -90.35 172.78 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 8.0 pt-20 -168.91 113.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' CYS . 58.5 t -102.82 127.73 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.36 108.91 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.64 137.65 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 19.4 m -86.37 135.9 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -82.18 149.46 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.31 -2.68 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.46 -8.63 22.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.43 -1.17 34.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -91.62 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.733 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -144.08 144.93 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.096 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -140.08 117.43 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.74 146.06 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.75 HD22 ' HA2' ' A' ' 17' ' ' GLY . 14.9 mt -112.19 163.79 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.769 ' O ' HG21 ' A' ' 59' ' ' VAL . 8.2 t-20 -92.37 117.1 67.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.37 11.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.57 17.21 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 11.1 t -119.25 140.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.2 8.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -20.34 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.1 t -70.45 -18.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.13 3.97 54.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -114.34 -16.61 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.513 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.4 mt -94.64 -16.67 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.711 HG12 HG11 ' A' ' 26' ' ' VAL . 27.1 mt -93.85 -55.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.33 -36.12 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.9 mttm -73.17 -32.7 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.706 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.62 -38.31 87.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.671 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.1 -15.63 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -102.75 -30.36 10.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 61.62 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 60.36 103.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.59 -68.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 71.36 77.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 5' ' ' THR . 7.3 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -111.61 83.68 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.69 168.18 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -135.47 -145.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 55.5 m -93.55 146.91 23.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -5.1 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 136.6 26.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -104.15 -15.99 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.577 ' O ' HG23 ' B' ' 14' ' ' THR . 1.0 OUTLIER -134.62 172.57 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.577 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.9 165.91 34.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.086 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 9.7 mt -105.11 174.73 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -86.48 -11.98 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.671 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.1 -40.46 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.972 HD12 HD13 ' B' ' 15' ' ' LEU . 3.7 mt 55.45 164.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.508 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -60.99 150.44 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.95 HD13 ' O ' ' B' ' 20' ' ' LEU . 2.3 tm? -98.18 9.21 43.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -87.48 -21.28 25.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.465 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.9 m-20 -95.42 -36.24 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.734 ' HB ' HD22 ' B' ' 20' ' ' LEU . 2.3 mt -59.12 132.96 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.65 -25.28 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.43 164.07 38.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.538 HG11 HG12 ' B' ' 63' ' ' ILE . 26.1 t -127.95 131.73 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 11.0 tptm -123.72 118.92 28.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.671 HG11 ' CD1' ' A' ' 67' ' ' LEU . 70.5 t -110.22 121.5 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.4 OUTLIER -120.79 81.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.438 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -43.63 167.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -75.03 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.811 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.86 -158.32 7.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 1.51 7.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -112.45 -53.0 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 53.3 t -112.63 119.36 37.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 24.05 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.5 mp0 -129.77 153.7 47.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 6.2 m -77.78 157.37 30.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.68 87.63 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.08 126.2 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.7 mp -124.94 111.98 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.606 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -99.34 129.42 45.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -80.32 145.05 32.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -93.62 150.63 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.19 -4.42 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.34 -9.43 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.84 -12.73 29.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -81.13 -173.7 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -146.23 145.06 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 1.086 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.07 112.24 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -66.39 140.31 58.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.671 HD22 ' HA2' ' B' ' 17' ' ' GLY . 26.4 mt -111.34 164.24 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' HG21 ' B' ' 59' ' ' VAL . 56.7 t30 -97.97 116.75 65.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.479 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.05 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.4 t -110.6 143.6 28.51 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.84 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.62 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -80.81 -19.82 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' B' ' 63' ' ' ILE . 43.3 t -82.08 -4.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -107.75 3.61 24.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -14.88 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD23 ' B' ' 20' ' ' LEU . 15.4 mt -92.81 -16.48 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.795 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.2 mt -94.87 -54.82 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -54.04 -35.09 61.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.11 -36.27 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.833 ' HG2' HD21 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -56.34 -37.38 69.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.754 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.1 mp -68.7 -15.64 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 70' ' ' GLY . 2.2 mtmt -102.45 -29.16 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.8 t30 61.53 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -88.51 145.24 18.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -170.96 2.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.28 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -113.86 84.4 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.77 168.55 8.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -136.03 -144.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -97.98 164.6 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -4.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 129.77 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.37 -15.87 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -131.35 168.44 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.3 p -153.95 165.53 35.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 53.7 mt -96.31 -179.27 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.52 -14.3 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.91 100.53 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -99.94 163.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.2 t-160 -53.73 136.17 40.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.96 HD11 ' HG2' ' A' ' 66' ' ' MET . 44.4 tp -84.19 9.28 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.57 -15.3 49.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.542 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.9 m-80 -102.59 -42.47 5.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.667 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -54.06 130.94 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -24.99 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.01 164.9 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 HG12 ' A' ' 63' ' ' ILE . 30.2 t -130.47 134.81 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 10.2 tptm -127.98 119.92 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.735 HG11 ' HG ' ' B' ' 67' ' ' LEU . 68.9 t -111.73 113.72 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 82.12 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.95 172.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 165.79 30.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.23 -160.8 8.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.56 -53.03 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.19 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.56 24.08 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -128.41 157.28 41.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 57.9 m -80.27 165.46 22.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -153.8 83.08 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG11 HD11 ' A' ' 63' ' ' ILE . 57.3 t -79.48 126.12 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.46 115.17 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -101.09 135.0 43.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -86.36 139.18 31.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -86.46 150.24 24.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.1 -4.78 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.73 -8.59 25.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.93 -11.85 32.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -81.75 -173.91 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -146.77 145.0 29.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.878 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -130.51 110.04 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -68.1 136.62 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.6 mt -111.56 166.03 11.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 59' ' ' VAL . 64.7 t30 -101.02 121.22 52.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 0.51 8.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.49 11.82 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 35.9 t -108.95 146.74 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.863 ' O ' HD12 ' A' ' 63' ' ' ILE . 39.1 t -71.87 -8.35 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 3.29 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -118.58 -15.77 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 20' ' ' LEU . 14.8 mt -92.18 -16.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.6 mt -93.7 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.37 -35.48 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ASN . 2.6 mtpm? -71.24 -35.22 71.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.96 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -56.7 -41.04 76.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.691 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -66.35 -15.5 63.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.18 -32.47 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LYS . 11.9 t30 61.4 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 135.01 -115.62 1.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.75 -69.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.7 p -59.4 -65.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.9 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.637 ' OG1' HD11 ' B' ' 7' ' ' LEU . 2.0 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.15 84.17 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.845 HD13 ' N ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -106.82 177.5 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.67 -143.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.65 167.52 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -2.91 34.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.58 139.37 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.54 -13.86 14.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' HG23 ' B' ' 14' ' ' THR . 10.8 tt0 -132.61 166.15 22.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -151.95 165.06 35.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.453 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.732 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.5 mt -110.17 169.26 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -84.68 -14.7 47.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.686 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 133.59 103.92 0.84 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.58 HD12 ' CB ' ' B' ' 50' ' ' ALA . 8.3 mt -80.73 157.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.408 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -52.57 149.4 5.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' B' ' 66' ' ' MET . 15.2 tp -87.1 10.92 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CE ' ' B' ' 21' ' ' LYS . 0.1 OUTLIER -91.28 -18.74 23.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.418 ' OD1' HD21 ' B' ' 44' ' ' LEU . 5.9 m-80 -102.05 -49.97 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -48.35 131.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 -25.14 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.428 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.9 OUTLIER -155.05 164.73 38.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' B' ' 66' ' ' MET . 24.8 t -125.98 130.27 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 41' ' ' ILE . 13.6 tptt -121.26 120.28 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.691 HG11 HD12 ' A' ' 67' ' ' LEU . 55.5 t -109.66 119.75 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 30' ' ' SER . 5.5 tmtt? -118.69 78.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.442 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -46.46 172.37 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.04 170.18 20.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.93 -158.01 7.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.806 ' CG ' HD23 ' B' ' 7' ' ' LEU . 1.1 p-80 -113.52 -56.86 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 123.09 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 108.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.86 24.59 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 26.7 mm-40 -131.0 160.04 35.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 39' ' ' GLU . 84.9 m -86.38 169.46 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -163.98 86.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.661 HG11 HD11 ' B' ' 63' ' ' ILE . 15.1 t -74.72 137.14 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.9 mp -130.09 108.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.1 128.33 40.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -79.59 141.56 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.546 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.51 150.91 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.546 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.69 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -98.51 -8.95 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.66 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 65.1 mt-30 -84.48 -175.17 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.3 mptt -143.45 144.96 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.732 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.45 109.72 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.93 137.28 57.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.686 HD22 ' HA2' ' B' ' 17' ' ' GLY . 21.6 mt -110.59 164.58 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.461 ' O ' HG21 ' B' ' 59' ' ' VAL . 64.2 t30 -96.06 119.13 65.11 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.74 12.99 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 29.6 t -110.87 143.86 29.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.83 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.754 ' HG2' HD11 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -63.1 -26.2 68.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.769 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.4 t -68.67 -17.35 21.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -96.84 3.67 52.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -116.4 -15.55 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.754 HD11 ' HG2' ' B' ' 58' ' ' MET . 13.8 mt -94.84 -16.46 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.769 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.7 mt -94.86 -53.65 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 44.0 mt-10 -55.91 -34.04 65.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.4 OUTLIER -76.85 -30.47 56.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.709 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.7 mmm -60.82 -36.32 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.735 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.3 mp -70.32 -15.29 62.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 9.4 mttt -103.67 -32.44 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' LYS . 18.2 t-20 61.35 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -164.47 -164.09 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -53.62 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.2 t -179.62 76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 5' ' ' THR . 2.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.83 75.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.9 mp -109.08 163.34 13.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 7' ' ' LEU . 1.6 mtp85 -135.05 -143.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.6 161.95 13.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.353 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.61 -1.63 58.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 133.9 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.92 -16.62 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 tt0 -131.59 169.31 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.8 p -153.94 164.85 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.973 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.1 mt -95.06 177.37 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -112.69 -12.85 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.37 99.19 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.585 ' CG1' HD13 ' A' ' 15' ' ' LEU . 4.7 mm -98.95 157.46 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -57.59 139.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.0 tp -86.99 12.29 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -91.64 -20.55 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.482 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.4 m-20 -97.23 -42.54 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.9 mt -55.19 129.97 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.6 -22.11 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.442 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -153.05 163.61 39.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.693 HG23 ' HG3' ' A' ' 66' ' ' MET . 24.5 t -127.93 133.34 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -123.22 123.84 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.8 t -116.17 119.53 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 89.42 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -52.89 171.6 0.22 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.1 Cg_endo -75.08 162.0 37.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.44 8.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.62 7.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -116.03 -54.73 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.43 123.25 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.32 24.4 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 22.8 mt-30 -130.62 158.94 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 6.2 m -81.21 158.14 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' OE2' HD11 ' A' ' 41' ' ' ILE . 4.4 tt0 -145.26 95.66 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HD11 ' A' ' 63' ' ' ILE . 62.7 t -90.05 126.21 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.561 HD11 ' OE2' ' A' ' 39' ' ' GLU . 1.6 mp -127.9 109.44 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -97.74 136.42 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.7 m -86.62 142.53 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.86 150.41 21.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.25 33.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.65 -8.91 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.93 -8.44 33.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -84.57 -173.05 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -145.78 144.94 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.973 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.06 110.88 11.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.75 138.26 52.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 108.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.7 mt -112.52 165.63 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 62.5 t30 -100.52 118.98 59.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.03 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.06 1.35 42.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.5 t -101.31 145.45 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.86 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -26.93 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.787 ' O ' HD12 ' A' ' 63' ' ' ILE . 18.4 t -70.43 -12.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.3 mmmm -98.93 4.04 47.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -116.49 -16.0 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mt -93.86 -16.52 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 59' ' ' VAL . 14.6 mt -93.54 -54.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 56.1 mt-10 -54.7 -35.89 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -71.28 -35.51 71.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.693 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.4 mmm -59.38 -37.88 79.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.13 -15.29 63.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.79 -33.78 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.3 t-20 61.91 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 112.99 -119.99 5.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -140.02 -62.88 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -176.81 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -110.91 56.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.449 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.2 mp -107.74 169.73 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' B' ' 8' ' ' ARG . 1.6 mtp-105 -135.32 -145.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 60.7 m -98.73 142.15 30.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.84 5.87 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.85 114.63 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -89.96 -25.5 20.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.56 ' O ' HG23 ' B' ' 14' ' ' THR . 2.9 tm0? -135.4 177.31 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.51 159.59 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.92 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 7.4 mt -123.05 152.83 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.8 tm0? -70.02 -15.26 62.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.19 104.63 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.665 HD12 HD13 ' B' ' 15' ' ' LEU . 6.7 mt -93.96 163.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.8 OUTLIER -54.91 126.59 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -55.86 -18.57 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -23.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' B' ' 20' ' ' LEU . 13.4 m-80 -99.81 -48.23 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.03 129.49 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -114.7 -17.99 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.447 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -157.15 154.88 30.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.96 HG11 HG12 ' B' ' 63' ' ' ILE . 50.7 t -127.39 136.4 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.479 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.29 124.91 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 67' ' ' LEU . 2.4 t -104.81 124.23 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.51 83.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -49.14 170.61 0.13 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 166.29 29.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.97 -159.75 8.03 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.597 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.57 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.597 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.71 -56.03 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 0.1 OUTLIER -108.39 124.31 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.8 24.12 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.427 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.6 mm-40 -126.78 162.32 26.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' B' ' 39' ' ' GLU . 23.8 m -80.37 162.7 24.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' B' ' 38' ' ' THR . 2.4 mp0 -148.85 92.75 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.402 HG22 HG22 ' B' ' 28' ' ' VAL . 95.6 t -90.25 117.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.16 112.74 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.67 137.47 39.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -88.14 140.55 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.507 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -89.29 150.18 22.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.507 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.7 -5.02 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.597 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -98.37 -8.3 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.02 -8.28 36.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -84.66 -173.37 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -144.69 144.76 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.92 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.26 113.16 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 13' ' ' GLN . 7.7 m -68.72 138.09 54.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 mt -106.08 162.77 13.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG21 ' B' ' 59' ' ' VAL . 39.1 t30 -93.12 111.92 53.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 48.13 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.34 31.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -122.4 148.47 52.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.4 18.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 tpp -90.26 -25.96 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.621 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -70.53 -16.2 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -95.54 3.78 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -117.9 -16.69 9.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.81 -16.66 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.96 HG12 HG11 ' B' ' 26' ' ' VAL . 15.9 mt -94.02 -57.15 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.91 -33.38 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -26.49 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.624 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -69.48 -37.59 77.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.724 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.8 mp -72.03 -15.64 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.64 -31.31 9.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 65' ' ' LYS . 16.0 t30 61.49 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -93.92 -167.55 37.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -55.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.8 m 41.55 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.17 83.16 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.7 mp -106.51 162.14 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -135.98 -144.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.5 m -98.62 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.22 -3.51 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 134.79 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.11 -16.26 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' THR . 4.9 tt0 -134.65 170.56 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -154.77 165.14 37.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.974 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 11.0 mt -99.06 176.03 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -100.12 -12.9 19.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.13 97.47 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 13.9 mt -96.05 162.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.476 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -49.17 138.26 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 24.7 tp -74.54 -2.75 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -72.59 -7.14 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.697 ' O ' HD23 ' A' ' 44' ' ' LEU . 5.4 m-80 -112.37 -31.68 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' HB ' HD12 ' A' ' 20' ' ' LEU . 3.0 mt -76.42 129.96 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.94 -22.7 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.9 160.67 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.769 HG11 HG12 ' A' ' 63' ' ' ILE . 79.4 t -134.62 142.4 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -144.29 124.79 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.812 HG11 ' HG ' ' B' ' 67' ' ' LEU . 77.8 t -113.96 127.83 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -122.67 91.1 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -50.31 174.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.3 Cg_endo -74.97 178.18 7.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.22 -161.64 10.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.95 1.5 7.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -114.67 -46.91 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.52 125.25 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.0 24.76 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 20.7 mt-30 -129.75 159.97 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -89.17 163.21 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 41' ' ' ILE . 7.6 pt-20 -154.71 115.34 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 28' ' ' VAL . 88.2 t -106.19 123.49 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' HG3' ' A' ' 39' ' ' GLU . 1.5 mp -120.37 121.78 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.35 140.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -90.53 131.95 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.58 148.87 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.35 -2.41 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.527 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.3 -9.06 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.72 31.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.39 -171.62 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -144.74 144.97 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.974 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.0 113.79 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.28 138.86 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.4 mt -113.26 159.61 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -93.54 121.23 65.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.69 11.91 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -103.64 141.32 22.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.9 7.73 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 tpp -76.58 -25.13 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 63' ' ' ILE . 6.1 t -70.95 -14.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -95.9 3.3 53.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -115.27 -15.27 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 20' ' ' LEU . 12.9 mt -95.72 -16.28 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.769 HG12 HG11 ' A' ' 26' ' ' VAL . 18.2 mt -96.18 -52.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -57.51 -36.24 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.8 ptpt -79.4 -23.27 43.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.511 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.7 OUTLIER -67.17 -33.49 75.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD1' HG11 ' B' ' 28' ' ' VAL . 9.7 mp -72.37 -15.63 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.6 tttt -105.06 -33.16 8.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.8 t30 61.43 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 136.23 -108.29 0.66 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.84 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 t -176.7 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.368 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.59 ' HB ' HD11 ' B' ' 7' ' ' LEU . 5.3 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -114.1 86.31 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.826 HD23 ' CD2' ' B' ' 34' ' ' HIS . 0.0 OUTLIER -104.3 176.01 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.65 -142.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.449 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 80.4 m -87.45 149.1 24.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLN . . . . . 0.476 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.52 -1.61 56.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' CYS . . . . . 0.466 ' HB2' ' CG ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -144.59 132.67 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -102.62 -16.45 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.633 ' O ' HG23 ' B' ' 14' ' ' THR . 1.8 tp60 -129.14 172.98 10.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.633 HG23 ' O ' ' B' ' 13' ' ' GLN . 8.8 p -158.89 164.95 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.919 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -100.14 178.72 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -112.24 -13.04 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.22 98.77 0.16 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.843 HG13 HD13 ' B' ' 15' ' ' LEU . 3.4 mm -95.06 156.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.6 140.22 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 13.5 tp -87.76 12.22 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -95.77 -19.09 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.575 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.9 m-20 -98.34 -45.0 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.586 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.0 OUTLIER -52.76 128.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.68 -24.61 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.4 OUTLIER -147.82 160.55 42.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.953 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.52 HG11 HG12 ' B' ' 63' ' ' ILE . 39.2 t -128.77 133.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -125.65 123.85 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.871 HG11 ' CD1' ' A' ' 67' ' ' LEU . 72.4 t -115.88 114.93 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.06 88.67 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.511 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -53.37 168.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.438 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 158.23 42.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.13 -160.5 8.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.637 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.0 2.77 6.25 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.826 ' CD2' HD23 ' B' ' 7' ' ' LEU . 1.1 p-80 -112.43 -46.07 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 1.2 m -127.71 122.61 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.85 23.78 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.9 mm-40 -127.56 148.48 50.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 18.1 m -69.9 160.82 31.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 41' ' ' ILE . 1.6 tt0 -148.12 91.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.666 HG11 HD11 ' B' ' 63' ' ' ILE . 57.6 t -88.46 126.15 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.665 HD11 ' OE2' ' B' ' 39' ' ' GLU . 2.9 mp -130.56 110.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -101.2 133.1 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.0 m -84.07 136.62 33.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.575 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -83.67 150.13 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.524 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.3 -4.15 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.81 -10.57 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.05 -8.97 29.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.93 -172.19 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -144.79 144.6 31.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.919 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.43 111.55 10.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.514 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.52 138.57 49.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' B' ' 59' ' ' VAL . 24.5 mt -111.02 158.52 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.95 118.63 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.84 22.01 16.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 27.4 t -121.13 143.23 36.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.41 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -26.18 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.683 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -72.41 -15.15 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 4.11 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -115.66 -15.88 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.53 -16.41 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.683 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.6 mt -94.8 -54.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -54.84 -35.22 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.9 mttt -73.18 -33.81 65.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.489 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.6 mmm -62.97 -37.89 88.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.812 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -70.71 -15.68 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.73 -27.99 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 7.7 t-20 61.95 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -177.03 129.85 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -173.32 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -77.44 -57.43 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 5' ' ' THR . 12.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.32 86.34 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -103.83 176.82 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -135.5 -142.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.0 m -81.91 165.92 20.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -103.22 -4.61 24.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 137.36 25.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.51 -14.63 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 14' ' ' THR . 2.3 tm0? -133.95 173.51 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLN . 19.8 p -156.26 165.75 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.902 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mt -106.99 -178.75 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 9.1 tp60 -88.47 -13.38 40.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.878 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 146.93 -34.7 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 18.8 mm 55.63 164.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -64.62 138.51 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 66' ' ' MET . 48.2 tp -84.82 8.06 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -86.76 -18.13 31.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.57 ' CG ' HD21 ' A' ' 44' ' ' LEU . 3.3 m-20 -99.49 -44.13 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.3 mt -51.31 128.21 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.93 -21.83 10.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.77 161.17 42.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 63' ' ' ILE . 72.4 t -129.66 142.25 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -137.74 125.52 22.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.863 HG11 ' HG ' ' B' ' 67' ' ' LEU . 86.3 t -114.4 109.56 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 88.31 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 1.1 p -57.29 169.29 0.76 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.948 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 157.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.45 -158.66 7.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.98 0.83 8.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.811 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.2 -53.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 126.84 54.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 23.64 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 31.9 mm-40 -127.76 154.1 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 m -85.89 165.06 17.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.54 105.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -88.44 125.82 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.44 111.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.64 139.28 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.6 m -88.72 131.02 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.3 150.21 35.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -74.96 -4.41 38.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.35 -9.65 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 108.42 -2.05 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.59 -171.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 47' ' ' GLY . 2.4 mptt -142.22 144.61 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.902 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -138.51 113.23 9.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.92 141.49 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.878 HD22 ' HA2' ' A' ' 17' ' ' GLY . 11.3 mt -111.52 160.18 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.463 ' O ' HG21 ' A' ' 59' ' ' VAL . 67.3 t30 -91.08 117.37 67.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.55 19.76 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -118.74 142.16 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.41 11.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.762 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 62' ' ' ILE . 9.0 tpp -77.98 -19.69 54.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.0 t -79.26 -12.51 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -97.14 3.87 51.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -118.31 -15.7 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 20' ' ' LEU . 15.6 mt -91.14 -16.78 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 26' ' ' VAL . 17.0 mt -93.41 -57.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -51.87 -36.27 47.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' ASN . 31.1 mmtt -71.33 -35.38 71.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.49 -39.44 80.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.811 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.2 mp -68.97 -15.51 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -102.42 -27.77 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.4 t-20 61.51 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 151.63 -133.81 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -65.41 -63.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -172.83 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.49 66.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.26 167.5 9.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.69 -144.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 m -97.9 160.67 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -5.08 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 137.29 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.35 -15.04 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 14' ' ' THR . 5.8 tt0 -135.09 171.25 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -153.17 165.97 33.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.066 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.6 mt -102.61 134.33 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.7 tt0 -98.11 66.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.97 102.08 2.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.81 HG13 HD13 ' B' ' 15' ' ' LEU . 2.6 mm -123.51 158.84 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -65.24 131.54 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.9 HD23 ' CG2' ' B' ' 62' ' ' ILE . 1.2 tm? -89.73 17.15 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -94.83 -24.26 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.498 ' HB3' HD21 ' B' ' 44' ' ' LEU . 4.3 m-20 -93.46 -35.95 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.709 HG12 ' HB1' ' B' ' 42' ' ' ALA . 2.1 mt -56.8 132.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.71 -25.32 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.6 OUTLIER -146.97 165.0 31.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.99 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.843 HG23 ' HE2' ' B' ' 66' ' ' MET . 30.6 t -131.6 136.05 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -129.15 122.34 29.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.811 HG11 ' CD1' ' A' ' 67' ' ' LEU . 5.2 t -114.33 119.24 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 98.65 5.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -58.77 173.5 0.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.03 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.33 -162.31 11.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 1.51 7.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.7 p-80 -113.77 -48.73 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 120.3 38.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.7 24.5 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.6 mm-40 -128.89 154.42 46.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.0 m -80.56 156.0 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -135.0 88.14 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.92 HG11 HD11 ' B' ' 63' ' ' ILE . 58.6 t -86.12 125.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.774 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.1 mm -126.05 154.25 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -142.27 128.16 19.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.443 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.4 m -80.18 140.52 36.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.511 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -88.72 150.05 23.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.58 -4.93 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.07 -8.48 25.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.0 -10.08 34.1 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.94 -173.05 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -145.12 144.65 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 1.066 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.3 110.8 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.755 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -67.91 140.3 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.8 mt -111.32 164.38 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.499 ' H ' HG21 ' B' ' 59' ' ' VAL . 35.8 t30 -101.57 114.78 65.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.69 5.64 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 25.3 t -105.2 142.09 23.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.91 8.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.3 59.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.4 t -71.55 -13.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.66 3.77 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -117.48 -15.46 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.9 ' CG2' HD23 ' B' ' 20' ' ' LEU . 14.1 mt -91.41 -17.34 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.92 HD11 HG11 ' B' ' 40' ' ' VAL . 14.9 mt -92.64 -57.47 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.39 -34.73 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.8 mmtt -73.82 -35.57 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.852 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.9 mmm -62.04 -36.08 80.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.863 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -71.33 -15.72 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -102.95 -29.21 11.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.1 t-20 61.89 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -121.55 157.02 16.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.63 -63.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -171.51 80.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 65.8 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.77 69.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.64 165.61 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -136.11 -144.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.07 168.92 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -4.46 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 127.67 18.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.19 -13.47 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -130.56 171.67 12.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' GLN . 7.7 p -159.74 165.02 33.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.101 HD22 HD11 ' A' ' 18' ' ' ILE . 1.1 mt -112.79 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.01 -15.01 55.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.607 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 132.52 102.16 0.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.101 HD11 HD22 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -84.84 163.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -46.66 138.19 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.0 tm? -84.01 7.36 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' CG ' ' A' ' 19' ' ' HIS . 2.0 pttm -87.97 -10.32 50.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' CG ' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -107.14 -38.83 5.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.646 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.2 mt -59.0 130.27 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.74 -25.3 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.13 164.87 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -130.2 134.1 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -124.45 122.02 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' B' ' 67' ' ' LEU . 13.6 t -115.4 119.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.62 86.32 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.483 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.1 OUTLIER -51.84 174.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.96 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' CYS . . . -142.36 -159.47 7.95 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.2 8.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -113.63 -49.82 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -113.31 124.82 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.78 23.71 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -130.44 159.01 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.446 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.5 m -89.49 157.35 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 2.3 pm0 -146.0 72.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 54' ' ' PRO . 32.1 t -64.7 135.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.9 mp -131.47 155.4 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -141.27 133.14 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.4 m -84.4 139.57 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -88.3 150.25 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.82 -4.49 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.94 -7.82 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.77 -8.01 36.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.69 -173.74 4.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -145.04 144.42 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -132.56 112.52 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.34 137.86 46.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD22 ' HA2' ' A' ' 17' ' ' GLY . 10.1 mt -115.22 165.2 13.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -99.61 122.81 50.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.03 -5.19 16.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.54 21.14 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 t -120.34 143.86 36.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -23.88 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 63' ' ' ILE . 4.4 t -75.84 -14.06 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -97.33 3.47 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -117.49 -15.02 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.737 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.6 mt -93.75 -16.16 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 59' ' ' VAL . 29.1 mt -93.05 -54.57 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.44 -35.62 60.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -37.22 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.767 ' HG2' HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -53.58 -39.94 65.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.52 HD11 HG21 ' B' ' 28' ' ' VAL . 7.2 mp -68.16 -14.61 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -105.32 -18.6 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 19.0 t-20 62.88 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 119.65 -135.04 10.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -58.56 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.32 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.86 73.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -107.8 167.23 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -135.27 -144.14 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 m -97.38 163.63 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.21 -4.63 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 136.77 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.6 -15.05 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.446 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -136.09 170.92 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.446 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -152.37 165.1 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.957 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 8.8 mt -101.58 -177.54 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.57 -14.64 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.776 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.5 -35.64 1.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.0 mm 55.79 164.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -69.04 137.0 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' B' ' 66' ' ' MET . 9.3 tp -80.28 3.22 21.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.6 OUTLIER -83.63 -15.4 49.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.43 -39.01 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.73 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.2 mt -57.63 138.62 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HB2' ' CA ' ' B' ' 45' ' ' LYS . 0.1 OUTLIER -115.39 -24.73 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.01 161.98 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.643 HG11 HG23 ' B' ' 63' ' ' ILE . 25.1 t -126.52 132.36 70.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -123.05 122.64 38.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.52 HG21 HD11 ' A' ' 67' ' ' LEU . 1.2 t -111.79 117.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 90.34 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -55.19 172.55 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.93 178.38 7.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -161.87 10.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -111.42 -50.53 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.38 122.59 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 24.15 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 34.8 mm-40 -126.92 154.81 43.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 56.0 m -79.46 165.01 23.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 75.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.746 ' O ' HD13 ' B' ' 41' ' ' ILE . 42.8 t -76.92 124.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.783 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.88 160.01 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.541 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -147.75 126.51 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -76.98 133.31 39.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -80.3 149.76 30.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.94 -1.97 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.0 OUTLIER -100.22 -9.56 22.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 1.31 34.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 15.1 mt-30 -96.25 -171.21 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -142.56 147.28 35.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.47 111.85 10.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.783 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.26 140.08 54.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 108.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.776 HD22 ' HA2' ' B' ' 17' ' ' GLY . 17.5 mt -113.07 162.26 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG11 ' B' ' 59' ' ' VAL . 66.4 t30 -94.58 117.55 66.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.486 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.9 7.49 30.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -106.44 145.59 31.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.551 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.48 -19.47 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.755 ' O ' HD12 ' B' ' 63' ' ' ILE . 7.0 t -80.07 -9.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.27 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 -15.53 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD13 ' B' ' 20' ' ' LEU . 20.0 mt -90.99 -16.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.755 HD12 ' O ' ' B' ' 59' ' ' VAL . 22.9 mt -94.45 -56.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -54.07 -35.2 61.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 72.0 mttt -72.02 -33.43 68.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.789 ' HG2' HD11 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -61.41 -38.62 87.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.804 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.16 -15.5 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.78 -29.92 11.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 22.6 t-20 61.54 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 50.84 -161.93 1.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.61 -55.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.36 -52.89 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -114.2 84.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.71 166.86 10.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -135.16 -144.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 m -94.72 164.87 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 108.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -101.09 -5.82 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 135.25 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.26 -18.3 15.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' THR . 5.3 tp60 -132.14 168.56 17.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -153.5 165.17 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.001 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.5 mt -91.12 178.53 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -111.69 -13.17 13.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 98.83 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 18' ' ' ILE . 4.9 mm -97.45 158.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-80 -57.98 148.75 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.688 HD11 ' HG2' ' A' ' 66' ' ' MET . 6.6 tp -90.57 19.29 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -9.5 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 44' ' ' LEU . 2.9 m-20 -108.55 -33.57 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.792 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -67.14 125.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -104.71 -25.59 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -152.21 161.5 42.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 63' ' ' ILE . 23.9 t -127.57 129.28 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 17.5 tptp -120.01 120.89 37.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG11 ' CD1' ' B' ' 67' ' ' LEU . 47.4 t -109.83 116.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 92.87 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -59.71 171.23 0.87 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.96 19.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.13 -161.36 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -113.4 -50.29 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.48 117.13 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.68 23.97 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 13.1 mm-40 -127.17 148.05 50.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.9 m -77.7 155.29 31.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -134.98 79.12 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.581 ' C ' HD13 ' A' ' 41' ' ' ILE . 99.2 t -76.74 118.56 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.68 HD12 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -120.33 154.79 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.792 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -144.13 134.72 24.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.9 m -80.09 143.08 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -94.45 154.27 17.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -74.34 -6.08 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.43 -9.77 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.97 -12.84 31.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 50.8 mt-30 -83.04 -171.21 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -142.86 144.97 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.001 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -126.25 112.16 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.78 137.03 56.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' HG12 ' A' ' 40' ' ' VAL . 11.0 mt -111.02 156.45 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -90.78 119.1 69.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.02 -1.74 11.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.11 7.32 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 t -106.28 141.23 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -23.67 66.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.693 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.6 t -75.3 -3.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -104.25 3.44 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -15.98 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 20.0 mt -91.29 -16.73 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 26' ' ' VAL . 43.4 mt -93.32 -56.42 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.92 -36.87 60.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HB3' HD22 ' A' ' 20' ' ' LEU . 9.1 mttt -70.41 -35.65 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.724 ' HG3' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -59.9 -39.47 85.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 28' ' ' VAL . 7.9 mp -68.51 -15.67 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -102.1 -27.84 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.0 t-20 61.76 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 117.75 -119.52 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -60.79 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.1 t -179.35 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.06 79.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.452 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.5 mp -104.78 171.64 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.56 -144.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.6 m -101.09 169.52 8.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -101.02 -2.37 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 134.96 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -103.23 -15.02 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.559 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -131.05 171.76 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.559 HG23 ' O ' ' B' ' 13' ' ' GLN . 2.0 p -155.85 165.41 36.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.985 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.6 mt -108.12 132.92 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -64.92 -11.9 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.64 98.76 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.2 mm -94.36 162.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.471 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -54.63 136.75 45.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 1.013 HD11 ' HG2' ' B' ' 66' ' ' MET . 37.4 tp -86.26 10.57 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.38 -11.6 51.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.7 m-80 -108.09 -39.21 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.659 ' HB ' HD12 ' B' ' 20' ' ' LEU . 1.6 mt -56.66 130.08 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -22.26 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.72 165.05 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.957 HG11 HG12 ' B' ' 63' ' ' ILE . 53.5 t -133.54 138.17 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -133.11 126.95 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 67' ' ' LEU . 69.9 t -115.87 112.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 84.51 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.418 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -45.34 165.16 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.02 165.48 31.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.44 -159.85 8.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -113.26 -48.55 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 124.32 51.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.4 24.41 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 6.8 mm100 -130.35 152.07 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 47.5 m -72.56 165.08 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.65 91.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.455 HG22 HG22 ' B' ' 28' ' ' VAL . 92.8 t -90.41 119.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.37 110.49 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.57 146.58 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -94.32 133.48 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -79.71 150.59 30.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.522 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.72 -3.24 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.78 -9.72 22.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.51 -7.76 30.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -86.31 -171.34 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -144.51 144.68 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.985 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -132.45 112.25 11.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.82 140.06 49.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.274 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.543 ' HB3' HG22 ' B' ' 59' ' ' VAL . 26.6 mt -110.19 165.08 12.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.86 ' O ' HG21 ' B' ' 59' ' ' VAL . 7.6 t-20 -100.34 118.28 61.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.84 16.39 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 8.9 t -117.12 142.06 29.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.78 15.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -19.66 57.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.86 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -71.52 -18.31 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.63 3.55 55.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -117.35 -15.8 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.647 HG23 HD13 ' B' ' 20' ' ' LEU . 15.0 mt -91.65 -16.83 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.957 HG12 HG11 ' B' ' 26' ' ' VAL . 32.6 mt -91.59 -57.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.57 -36.71 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.7 OUTLIER -70.07 -36.31 74.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 66' ' ' MET . . . . . 1.013 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.3 mmm -61.7 -40.8 96.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.891 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.29 -15.55 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.32 -25.01 13.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.2 t30 61.68 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 136.53 119.55 1.87 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -174.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.1 p -171.79 82.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' HD11 ' A' ' 7' ' ' LEU . 40.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.19 83.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.88 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -104.02 175.77 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -136.13 -144.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.37 157.82 37.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -6.0 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.62 128.64 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.47 -21.2 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -128.8 172.22 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -158.5 165.32 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.964 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.8 mt -95.59 174.4 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -106.72 -13.29 15.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 146.23 95.36 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.785 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -88.76 162.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -58.06 139.03 55.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' HG2' ' A' ' 66' ' ' MET . 15.9 tp -82.79 6.01 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -94.02 -16.77 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.1 m-20 -97.26 -42.29 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -59.4 132.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -24.46 9.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.94 161.14 42.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 66' ' ' MET . 28.7 t -129.95 132.59 65.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -123.21 122.07 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.964 HG11 ' CD1' ' B' ' 67' ' ' LEU . 54.4 t -111.75 115.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.53 94.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -55.25 175.66 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 179.23 6.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.41 -159.85 8.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.96 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.88 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.73 -54.25 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 52.7 t -106.0 118.08 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 23.89 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.7 mp0 -133.41 155.55 49.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 63.4 m -77.06 163.04 27.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 11' ' ' CYS . 61.7 mm-40 -144.65 78.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG11 HD11 ' A' ' 63' ' ' ILE . 54.2 t -74.98 127.54 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.764 HD12 ' SG ' ' A' ' 51' ' ' CYS . 1.4 mm -126.05 160.15 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -149.14 129.83 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -82.06 128.15 33.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -74.76 148.9 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.13 -3.21 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -98.8 -10.08 23.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.68 -9.48 30.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 24.1 mt-30 -86.4 -172.58 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 1.4 mttt -140.64 149.3 42.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.964 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.92 112.61 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.764 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -72.01 137.82 47.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.9 158.31 19.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.527 HD21 ' HB3' ' A' ' 55' ' ' ALA . 57.7 t30 -98.85 121.34 56.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.97 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -107.02 18.91 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 t -117.24 142.64 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.88 7.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -25.66 53.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' A' ' 63' ' ' ILE . 20.9 t -71.86 -10.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -101.13 3.66 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -117.45 -16.19 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.9 mt -91.6 -16.84 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HG11 ' A' ' 40' ' ' VAL . 15.9 mt -93.98 -56.16 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.4 -35.1 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mtpt -71.69 -33.91 69.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.691 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tmm? -61.11 -38.62 86.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 63' ' ' ILE . 7.8 mp -69.73 -15.55 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.7 mmtt -102.78 -27.14 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . 28.0 t-20 62.12 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.16 108.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.61 -173.18 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 p 173.24 72.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.046 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.542 0.21 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -103.17 76.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.5 mp -108.84 167.7 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -135.1 -144.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 30.1 m -97.2 156.44 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -85.79 -3.56 58.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 126.62 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.5 -18.02 27.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 14' ' ' THR . 5.7 tt0 -135.13 173.55 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 13' ' ' GLN . 3.8 p -157.41 165.18 36.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.753 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 24.5 mt -104.9 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 10.8 tt0 -98.91 -8.18 26.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.705 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 125.02 100.97 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.4 mt -86.27 160.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.3 OUTLIER -52.55 141.93 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.705 HD13 ' HG2' ' B' ' 66' ' ' MET . 11.9 tp -78.55 0.44 26.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -78.96 -15.56 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.7 -55.79 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.99 129.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -19.16 13.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.32 157.7 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.939 HG11 HG12 ' B' ' 63' ' ' ILE . 42.4 t -130.87 135.56 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.43 127.13 38.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 40' ' ' VAL . 14.0 t -113.25 121.71 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.01 87.26 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.529 ' HB2' ' HE1' ' A' ' 66' ' ' MET . 0.5 OUTLIER -45.65 170.36 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.98 176.37 10.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -162.33 10.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -112.37 -49.69 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 120.07 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.89 24.31 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 23.1 mm-40 -125.77 154.88 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 16.7 m -80.18 160.54 25.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 109.85 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 28' ' ' VAL . 77.6 t -106.97 117.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.97 115.82 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.85 146.67 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -95.34 131.38 41.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.485 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -76.71 150.03 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.485 ' H ' HD23 ' B' ' 44' ' ' LEU . 5.3 tppt? -74.66 -4.46 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.21 -8.86 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.62 -8.02 32.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 45.1 mt-30 -85.9 -172.35 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.258 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.0 OUTLIER -142.29 145.04 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.753 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.41 113.51 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.62 139.66 42.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 108.265 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.705 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.1 mt -110.21 165.27 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.895 ' O ' HG21 ' B' ' 59' ' ' VAL . 10.2 t-20 -96.33 121.09 61.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.5 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.75 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.17 21.1 17.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 9.5 t -118.28 144.06 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -20.86 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.895 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.31 -19.72 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.1 OUTLIER -94.32 3.52 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.19 -16.15 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.447 HD11 ' HA3' ' B' ' 17' ' ' GLY . 16.7 mt -91.45 -16.87 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.939 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -92.18 -57.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.65 -35.41 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' B' ' 69' ' ' ASN . 5.0 mmtt -75.88 -29.41 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.705 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.8 mmm -69.65 -36.89 76.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.964 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -74.34 -15.32 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 70' ' ' GLY . 1.5 mtpt -105.82 -19.97 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.7 t-20 62.16 -77.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 167.98 159.31 13.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -150.5 -68.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t 47.32 80.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.98 74.06 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.0 mp -107.35 163.88 12.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -134.74 -145.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' NE2' ' A' ' 37' ' ' GLN . 60.5 m -94.91 142.71 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -4.47 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 128.4 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.08 -17.91 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -128.02 173.24 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.0 p -159.44 165.27 33.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 HG13 ' A' ' 18' ' ' ILE . 9.1 mt -110.82 137.75 48.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -68.31 -13.91 62.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.07 100.25 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.84 HG13 HD13 ' A' ' 15' ' ' LEU . 3.4 mm -93.56 159.21 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.88 132.8 32.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 62' ' ' ILE . 1.5 tm? -87.51 12.8 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -91.71 -19.76 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.536 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 m-20 -98.35 -36.88 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.697 ' HB ' HD22 ' A' ' 20' ' ' LEU . 2.1 mt -55.44 131.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -114.06 -24.7 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.75 163.71 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.517 HG11 HG12 ' A' ' 63' ' ' ILE . 33.0 t -130.32 132.93 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ILE . 20.0 tptt -129.46 121.54 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.751 HG11 ' CD1' ' B' ' 67' ' ' LEU . 9.7 t -115.73 120.94 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -122.26 87.33 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -47.02 175.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.5 Cg_endo -75.0 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.14 -157.41 7.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.93 0.92 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -116.69 -58.73 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.6 t -100.47 115.12 29.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.58 24.71 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.531 ' NE2' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -136.33 152.45 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 20.9 m -74.26 163.96 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.1 77.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.25 132.44 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 2.0 mp -129.45 118.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -105.76 134.54 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -83.51 140.74 32.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.56 150.21 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.59 -4.71 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.602 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -100.04 -7.8 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.71 -10.57 35.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -81.4 -172.74 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -145.38 144.67 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.784 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.06 110.65 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.13 140.38 48.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 59' ' ' VAL . 39.6 mt -106.37 166.34 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.803 ' O ' HG21 ' A' ' 59' ' ' VAL . 41.4 t30 -96.03 110.18 50.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.98 46.4 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.99 27.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 31.0 t -127.26 146.74 59.2 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.86 10.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.773 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.517 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -99.37 -21.38 16.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.803 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.6 t -73.31 -22.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -94.33 3.49 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -116.33 -16.21 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 20' ' ' LEU . 11.8 mt -94.15 -15.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.8 mt -94.14 -55.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 73.2 mt-10 -51.38 -34.55 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -76.54 -34.45 58.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.86 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -59.05 -36.27 74.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.961 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.89 -15.3 63.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpt -104.05 -31.28 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t30 61.27 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 114.71 137.44 6.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -80.9 -172.03 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.01 78.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.88 73.18 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.7 mp -105.67 168.74 8.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -135.79 -144.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.484 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 78.4 m -102.22 164.64 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -4.78 27.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 137.41 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -103.7 -15.03 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.414 ' O ' HG23 ' B' ' 14' ' ' THR . 13.2 tt0 -135.19 168.21 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 0.9 OUTLIER -151.57 164.89 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.912 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.5 mt -96.79 -175.3 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -106.26 -13.26 15.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.32 98.8 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.546 HD12 HD13 ' B' ' 15' ' ' LEU . 7.9 mt -91.47 163.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -52.52 139.16 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.6 tm? -87.75 12.75 12.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.2 OUTLIER -92.2 -24.02 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.431 ' HB3' HD21 ' B' ' 44' ' ' LEU . 3.5 m-80 -92.68 -33.57 14.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.797 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -59.93 133.75 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -113.34 -23.41 9.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.2 165.46 33.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.544 HG11 HG12 ' B' ' 63' ' ' ILE . 29.7 t -131.19 140.49 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CE ' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tptt -133.57 123.22 24.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.961 HG11 ' CD1' ' A' ' 67' ' ' LEU . 15.3 t -116.94 103.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 92.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.492 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -61.77 171.46 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.99 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.35 -158.79 17.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.23 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.73 121.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.18 24.17 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.3 mt-30 -129.93 159.5 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 36.6 m -86.61 164.48 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' CB ' ' B' ' 9' ' ' CYS . 0.5 OUTLIER -147.3 74.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.693 ' O ' HD13 ' B' ' 41' ' ' ILE . 57.2 t -72.71 123.75 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.76 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -125.82 151.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.797 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -138.68 126.3 22.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.0 m -79.3 141.13 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.562 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -90.37 151.42 21.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.562 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.29 -4.78 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.12 -8.59 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.74 -10.11 34.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -82.92 -174.18 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -146.12 144.62 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.912 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -129.63 110.74 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.76 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.86 137.0 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.575 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.4 mt -110.96 161.49 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.542 HD21 ' HB3' ' B' ' 55' ' ' ALA . 63.1 t30 -93.75 121.37 64.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.493 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 -3.97 14.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -102.65 16.37 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -114.03 141.24 25.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.02 9.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -24.83 60.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.724 ' O ' HD12 ' B' ' 63' ' ' ILE . 3.7 t -73.64 -13.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.48 ' HE3' HD23 ' A' ' 67' ' ' LEU . 6.5 mmmm -98.21 2.84 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -117.42 -15.47 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.828 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.4 mt -92.22 -16.51 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.724 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.6 mt -93.55 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -52.74 -35.78 56.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 69' ' ' ASN . 45.2 mttt -71.32 -35.67 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.805 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.2 mmm -60.21 -38.9 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.751 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.99 -15.53 63.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.29 -23.86 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 65' ' ' LYS . 17.5 t30 62.3 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 169.62 140.47 2.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -69.14 -172.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p 176.94 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 61.4 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 5' ' ' THR . 5.0 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.36 86.3 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -103.74 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -135.93 -143.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.53 156.41 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 108.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -91.75 -4.7 54.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.99 120.96 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.64 -14.79 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -126.61 172.64 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -160.86 165.85 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.037 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.8 mt -110.24 150.45 28.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.3 tm0? -81.94 -15.03 55.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.38 101.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -97.48 155.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 139.29 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 66' ' ' MET . 41.7 tp -86.6 11.57 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -91.26 -19.67 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' CG ' HD21 ' A' ' 44' ' ' LEU . 5.2 m-20 -96.75 -42.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.81 128.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -19.29 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.13 159.45 41.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 66' ' ' MET . 39.7 t -129.92 135.53 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -134.02 127.37 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.89 HG11 ' HG ' ' B' ' 67' ' ' LEU . 72.1 t -116.52 108.89 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 86.42 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.09 170.48 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 162.6 36.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.09 -156.87 7.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.697 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.89 -0.65 10.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.885 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -117.28 -52.99 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.645 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.05 122.05 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.59 24.34 9.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 5.8 mp0 -140.46 157.24 45.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.482 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 75.9 m -70.53 165.27 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 69.4 mm-40 -153.19 76.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 63' ' ' ILE . 58.1 t -70.65 126.3 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.7 mp -129.65 105.8 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.56 139.47 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -87.34 132.21 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -78.81 150.0 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.37 -4.0 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.46 -9.63 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.54 -10.35 30.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -85.23 -172.18 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 147.36 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.037 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.52 113.38 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.535 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.39 140.21 46.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 108.27 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 59' ' ' VAL . 32.1 mt -106.73 160.44 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' HG11 ' A' ' 59' ' ' VAL . 41.4 t30 -88.67 112.94 53.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.482 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.96 49.09 2.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -123.2 149.66 58.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.81 8.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.631 ' HG3' HD11 ' A' ' 62' ' ' ILE . 24.5 tpp -83.05 -24.41 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.774 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 t -69.76 -16.13 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 4.26 44.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -117.97 -15.87 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 58' ' ' MET . 19.0 mt -93.24 -16.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.1 mt -93.94 -56.14 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -52.23 -36.76 53.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -69.6 -36.94 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.901 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -57.25 -41.47 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.697 HD12 HG11 ' B' ' 28' ' ' VAL . 7.4 mp -66.73 -15.93 63.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -101.07 -30.52 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' LYS . 12.6 t-20 61.82 -78.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 166.07 -130.31 2.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -59.07 -171.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -43.44 -64.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.054 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.481 ' HB ' HD11 ' B' ' 7' ' ' LEU . 1.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.81 85.88 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.886 HD23 ' CG ' ' B' ' 34' ' ' HIS . 0.0 OUTLIER -104.68 175.73 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -135.72 -143.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.05 164.09 26.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -5.55 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 135.22 24.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.64 -15.13 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -134.64 165.23 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -151.37 165.28 34.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -106.4 147.27 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.03 -12.17 60.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.19 103.25 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.786 HD12 HD13 ' B' ' 15' ' ' LEU . 11.3 mt -82.72 161.01 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.457 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 2.2 t-160 -53.09 148.49 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' B' ' 66' ' ' MET . 8.5 tp -88.43 13.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.42 -4.39 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -114.86 -39.35 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.777 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -60.33 129.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.14 -25.06 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.428 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.1 OUTLIER -152.62 163.02 40.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.773 HG11 HG12 ' B' ' 63' ' ' ILE . 68.4 t -128.41 139.3 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 10.1 tptm -131.51 120.44 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 67' ' ' LEU . 14.0 t -111.39 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -113.92 79.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.425 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -44.52 169.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.3 Cg_endo -74.99 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -158.11 8.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.52 7.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.886 ' CG ' HD23 ' B' ' 7' ' ' LEU . 1.4 p-80 -114.12 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 42.3 t -111.81 120.95 43.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.8 24.44 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.5 mm-40 -133.35 152.74 51.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -76.7 159.54 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -146.35 83.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.54 128.26 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.5 mt -124.51 109.02 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.777 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -96.92 128.18 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 19.9 m -79.6 140.94 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.555 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.18 151.06 21.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.555 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.87 -5.17 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -97.84 -8.61 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.442 ' O ' ' CE ' ' B' ' 49' ' ' LYS . . . 107.98 -9.65 36.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 64.9 mt-30 -84.25 -175.19 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' B' ' 47' ' ' GLY . 0.0 OUTLIER -143.47 144.3 31.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 1.042 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.59 111.53 10.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -62.81 138.02 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.506 ' CD1' ' HB2' ' B' ' 42' ' ' ALA . 22.9 mt -110.92 158.5 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.529 ' O ' HG21 ' B' ' 59' ' ' VAL . 65.9 t30 -91.46 117.55 67.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.465 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.97 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.4 27.37 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -122.74 144.81 43.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.05 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -25.29 60.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.71 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.6 t -74.15 -6.19 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -101.27 3.33 40.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -119.05 -15.72 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.47 -16.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.773 HG12 HG11 ' B' ' 26' ' ' VAL . 15.0 mt -95.62 -56.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -54.99 -32.44 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' B' ' 20' ' ' LEU . 23.9 mmtp -76.04 -32.57 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.617 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.4 mmm -65.69 -36.3 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.89 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -72.07 -15.46 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.56 -29.51 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' LYS . 10.7 t-20 61.57 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -146.92 143.54 11.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -172.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.8 86.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.16 86.52 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.835 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -104.61 177.06 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.54 -143.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 69.5 m -77.37 141.45 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -79.67 0.04 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.2 114.58 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.06 -26.05 29.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' THR . 2.1 tm0? -136.17 169.31 17.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -155.07 159.07 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.462 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.765 HD12 ' CD1' ' A' ' 18' ' ' ILE . 11.8 mt -114.67 172.25 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -116.08 70.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 86.49 101.39 0.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.765 ' CD1' HD12 ' A' ' 15' ' ' LEU . 94.3 mt -101.83 153.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.505 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -62.39 138.72 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.7 tp -88.93 16.87 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -96.7 -18.36 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.3 m-80 -104.64 -42.86 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.6 mt -54.5 129.38 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.15 -21.93 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -151.57 160.0 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 63' ' ' ILE . 31.8 t -128.69 133.83 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -126.69 123.71 38.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG21 HD11 ' B' ' 67' ' ' LEU . 0.4 OUTLIER -112.72 121.09 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.06 95.22 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.535 ' H ' ' HE1' ' B' ' 66' ' ' MET . 0.1 OUTLIER -52.85 175.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -75.06 174.11 13.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.5 -161.53 9.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.835 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.04 -51.2 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -116.46 124.49 50.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.05 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.4 mt-30 -127.97 160.07 33.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.521 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 26.4 m -76.2 162.0 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -146.48 92.27 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 63' ' ' ILE . 89.1 t -89.15 127.3 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.8 113.91 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.17 138.0 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 16.0 m -86.97 141.48 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -89.31 149.57 22.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.77 -4.7 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.612 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -97.49 -8.72 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.21 0.23 38.15 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' NE2' ' OD1' ' A' ' 46' ' ' ASN . 35.7 mt-30 -94.86 -171.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 3.9 mptt -143.45 145.96 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 18' ' ' ILE . . . -130.65 110.9 11.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 8.1 m -68.11 134.8 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 18' ' ' ILE . 29.1 mt -110.68 163.81 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 4.7 t-20 -100.71 122.39 49.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.02 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -99.43 12.0 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -108.29 142.26 24.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.35 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tpp -68.99 -25.87 64.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 63' ' ' ILE . 14.1 t -70.36 -10.34 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.92 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -116.83 -15.75 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' HA2' ' A' ' 17' ' ' GLY . 13.5 mt -93.88 -16.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.7 mt -94.12 -53.63 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.77 -34.73 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.5 mttm -74.18 -30.88 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.483 ' HG2' HD13 ' A' ' 20' ' ' LEU . 1.3 mmm -61.86 -37.39 84.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' B' ' 28' ' ' VAL . 9.0 mp -70.01 -15.41 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.1 ttpp -103.29 -30.21 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.1 t30 61.97 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 130.07 167.6 12.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.093 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -52.3 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t 48.37 86.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.2 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -107.22 69.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.99 168.3 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -135.98 -143.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 16.8 m -98.95 163.84 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -3.37 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 125.88 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -91.02 -16.66 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 14' ' ' THR . 0.1 OUTLIER -134.67 172.04 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 13' ' ' GLN . 11.5 p -154.97 165.6 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.886 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.7 mt -101.74 170.52 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.431 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.6 tm0? -92.55 -10.1 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.442 ' CA ' ' CD1' ' B' ' 62' ' ' ILE . . . 126.06 101.64 1.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.851 HD12 HD13 ' B' ' 15' ' ' LEU . 4.0 mt -88.89 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -52.02 146.89 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.875 HD23 HG23 ' B' ' 62' ' ' ILE . 0.2 OUTLIER -89.23 16.47 7.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 9.7 tppt? -98.23 -5.59 32.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.56 -50.26 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.4 135.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -25.56 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.72 154.62 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.937 HG11 HG12 ' B' ' 63' ' ' ILE . 41.8 t -129.56 132.92 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.35 125.0 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 67' ' ' LEU . 73.1 t -112.55 121.04 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 92.58 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -51.06 173.78 0.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.01 175.97 10.53 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.4 -161.77 9.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.62 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.62 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.47 -52.32 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.07 122.47 47.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.6 23.68 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.419 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 7.4 mt-30 -127.36 159.72 33.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.5 m -85.34 157.1 20.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.79 102.18 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.5 t -97.08 121.33 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.18 117.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.53 144.84 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 17.4 m -93.83 131.26 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -76.63 148.44 36.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.96 -3.79 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.638 ' HB3' HD22 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -99.13 -8.86 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.68 -3.92 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' B' ' 46' ' ' ASN . 12.3 mt-30 -89.51 -172.08 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 147.98 35.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -141.03 117.52 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.679 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -78.99 141.92 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.277 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.2 mt -113.39 165.11 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.609 ' O ' HG21 ' B' ' 59' ' ' VAL . 8.9 t-20 -98.57 119.87 60.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.47 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -2.81 13.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.53 19.86 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 17.5 t -114.05 144.01 30.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -32.4 5.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 tpp -72.46 -24.68 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.609 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.3 t -70.13 -11.98 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.7 3.36 55.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.16 -15.1 9.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.875 HG23 HD23 ' B' ' 20' ' ' LEU . 18.4 mt -90.62 -16.92 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.937 HG12 HG11 ' B' ' 26' ' ' VAL . 15.8 mt -94.64 -56.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -54.09 -35.51 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 69' ' ' ASN . 39.9 mttt -71.16 -33.72 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.692 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.2 tmm? -60.57 -43.14 97.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 28' ' ' VAL . 6.8 mp -66.73 -15.52 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -101.52 -28.11 12.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 65' ' ' LYS . 15.7 t30 61.8 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -53.48 164.33 2.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 -63.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -170.92 95.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -114.59 85.58 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.2 mp -104.45 163.43 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -135.47 -144.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.6 m -93.68 150.78 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -5.58 47.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.43 129.77 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -91.66 -19.2 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -135.05 172.21 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' GLN . 16.2 p -156.52 165.32 36.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.693 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mt -96.79 172.14 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 12.1 tt0 -101.75 -7.5 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.1 97.64 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.637 HG13 HD13 ' A' ' 15' ' ' LEU . 6.5 mm -88.05 154.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -49.49 137.4 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.575 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 66' ' ' MET . 55.2 tp -81.93 4.56 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -15.54 36.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.599 ' CG ' HD21 ' A' ' 44' ' ' LEU . 8.4 m-20 -101.02 -49.86 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -51.69 127.49 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 -18.69 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.434 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -152.8 161.32 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.668 HG23 ' HG3' ' A' ' 66' ' ' MET . 55.2 t -132.01 142.51 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -141.23 127.21 19.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG11 HD12 ' B' ' 67' ' ' LEU . 18.9 t -115.36 115.27 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.09 88.02 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.474 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -48.13 172.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.54 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.04 1.84 7.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.8 p-80 -117.17 -56.31 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 45.0 t -102.33 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.29 24.6 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 37.6 mm-40 -135.9 160.51 38.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 30' ' ' SER . 2.7 m -89.07 155.11 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -144.35 89.43 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.791 ' C ' HD13 ' A' ' 41' ' ' ILE . 92.1 t -77.31 122.73 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' SG ' ' A' ' 51' ' ' CYS . 2.4 mm -118.95 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -118.61 139.33 51.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -90.29 135.94 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.58 150.73 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.37 -4.2 34.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.16 -9.44 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.52 -7.22 31.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.36 -171.79 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -145.04 144.85 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -129.88 111.73 12.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.847 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.3 m -69.6 135.57 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -114.33 165.98 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' OD1' ' HB3' ' A' ' 55' ' ' ALA . 5.0 t-20 -108.37 120.92 45.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -98.35 1.08 46.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -103.21 145.32 30.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.438 ' HG3' HD11 ' A' ' 62' ' ' ILE . 30.6 tpp -59.92 -25.81 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.691 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.9 t -72.05 -14.71 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -95.83 4.11 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -116.22 -15.23 11.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HG3' ' A' ' 58' ' ' MET . 13.6 mt -94.75 -16.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 40' ' ' VAL . 16.6 mt -94.01 -53.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 70.4 mt-10 -55.8 -35.67 66.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 4.7 mttm -72.13 -33.76 68.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.668 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.1 mmm -60.45 -38.21 83.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.745 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -68.98 -15.61 63.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -102.7 -31.48 10.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.9 t-20 61.52 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 134.46 -114.76 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -75.88 -60.9 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.86 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.491 HG23 ' N ' ' B' ' 6' ' ' GLU . 4.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' HG23 ' B' ' 5' ' ' THR . 3.7 tp10 -112.84 84.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -108.0 168.07 9.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.2 -144.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.84 164.99 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.86 8.02 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -87.36 -25.98 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.613 ' O ' HG23 ' B' ' 14' ' ' THR . 2.7 tt0 -135.91 178.95 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.613 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -157.18 160.57 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.016 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.6 mt -110.69 -161.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 16.5 tt0 -112.65 0.59 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.626 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 136.62 -39.7 1.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.597 HG13 HD13 ' B' ' 15' ' ' LEU . 2.7 mm 55.88 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -63.78 146.05 54.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.843 ' HB2' HG23 ' B' ' 62' ' ' ILE . 12.1 tp -91.37 8.97 33.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.84 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.43 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.4 m-20 -97.69 -39.34 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.622 HG12 ' HB1' ' B' ' 42' ' ' ALA . 3.1 mt -57.58 129.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.34 -25.49 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 163.44 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 63' ' ' ILE . 46.9 t -126.45 137.3 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 7.8 tptm -126.27 118.46 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 67' ' ' LEU . 4.0 t -110.88 114.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.2 OUTLIER -117.69 83.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.9 OUTLIER -46.91 174.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.441 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.06 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.72 -158.15 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.79 7.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.26 -55.64 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.639 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.77 124.96 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.54 24.06 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.4 mp0 -132.02 157.61 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.409 ' C ' ' OE1' ' B' ' 39' ' ' GLU . 25.6 m -83.49 162.97 20.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' B' ' 38' ' ' THR . 2.0 pm0 -156.22 87.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 23.0 t -78.24 133.63 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.1 mp -125.67 110.01 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.622 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.64 129.49 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -82.49 141.95 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.572 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -92.33 151.53 20.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.572 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.89 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.05 -8.78 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.06 -10.82 34.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -82.54 -173.04 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -145.51 143.95 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 1.016 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -128.27 110.68 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' B' ' 15' ' ' LEU . 7.6 m -63.32 134.96 56.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.626 HD22 ' HA2' ' B' ' 17' ' ' GLY . 23.2 mt -110.9 165.86 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.448 ' H ' HG21 ' B' ' 59' ' ' VAL . 29.2 t30 -97.95 109.45 51.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' B' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 47.69 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.59 29.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -123.7 147.88 54.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' PRO . . . . . 0.47 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 18.2 Cg_endo -75.04 -13.57 21.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.639 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -96.97 -22.68 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.7 t -85.35 -4.49 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -108.18 2.51 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' HD2' ' B' ' 60' ' ' LYS . 8.2 mttp -115.0 -17.73 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' B' ' 20' ' ' LEU . 13.5 mt -89.88 -18.03 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 59' ' ' VAL . 41.9 mt -89.76 -59.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -48.72 -37.84 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.87 -38.02 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -57.3 -38.58 74.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.954 HD12 HG11 ' A' ' 28' ' ' VAL . 4.7 mp -68.42 -15.92 63.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -101.42 -28.3 12.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' B' ' 68' ' ' LYS . 16.7 t30 61.96 -77.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 49.73 -151.9 3.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' B' ' 72' ' ' SER . 1.4 mtmt -72.71 -69.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 71' ' ' LYS . 0.1 OUTLIER 81.47 -52.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 0.0 110.038 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.629 ' CG2' HD11 ' A' ' 7' ' ' LEU . 15.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.45 84.92 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.629 HD11 ' CG2' ' A' ' 5' ' ' THR . 3.8 mp -104.98 163.58 12.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.89 -145.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 m -95.48 162.46 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -94.38 -4.64 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -141.19 126.62 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -98.4 -14.03 20.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' THR . 9.9 tt0 -132.43 168.62 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.1 p -153.38 165.11 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.966 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.6 mt -109.72 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.09 -14.86 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.971 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 138.47 -31.07 2.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.931 HD12 HD13 ' A' ' 15' ' ' LEU . 10.2 mt 55.85 164.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -54.38 137.64 41.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -86.6 11.64 12.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 7.8 mttm -90.93 -23.13 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -93.68 -34.34 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.714 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.6 mt -57.77 134.19 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -25.51 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.427 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -152.51 161.92 41.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 47.3 t -129.41 137.94 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 126.82 27.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.8 t -120.6 117.95 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 100.75 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -59.15 170.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.92 -158.54 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -118.43 -56.87 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 44.8 t -100.18 113.59 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 108.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 24.27 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.4 mp0 -131.51 157.44 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.3 m -78.73 160.74 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -146.31 102.05 3.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 63' ' ' ILE . 98.6 t -100.9 122.32 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' CD ' ' A' ' 39' ' ' GLU . 1.1 mp -124.73 107.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -95.62 133.13 40.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.7 m -82.02 141.46 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.32 150.77 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.544 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.46 -3.67 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.635 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -99.4 -8.19 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.57 -2.94 36.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -90.68 -173.79 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -145.03 144.41 30.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.966 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.48 113.66 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.62 140.23 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.971 HD22 ' HA2' ' A' ' 17' ' ' GLY . 16.4 mt -112.46 165.38 12.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.491 ' O ' HG11 ' A' ' 59' ' ' VAL . 59.2 t30 -100.77 116.45 64.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.94 2.0 7.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.23 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.446 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 11.6 t -118.07 141.72 29.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.64 11.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -84.16 -17.5 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.711 ' O ' HD12 ' A' ' 63' ' ' ILE . 25.5 t -81.02 -13.25 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -99.75 3.92 45.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -117.75 -15.66 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.812 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.3 mt -92.78 -17.26 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 59' ' ' VAL . 19.7 mt -92.55 -56.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -51.21 -36.76 43.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -73.24 -34.32 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.873 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.1 tmm? -58.55 -40.2 82.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.0 mp -67.12 -16.06 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -101.78 -29.97 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' LYS . 13.9 t-20 61.18 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 139.81 -146.67 18.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 -72.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 t 65.27 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -99.85 68.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.408 ' C ' ' HG2' ' B' ' 8' ' ' ARG . 5.6 mp -105.3 167.75 9.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' B' ' 7' ' ' LEU . 0.4 OUTLIER -134.76 -141.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' B' ' 39' ' ' GLU . 34.0 m -99.9 169.35 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -3.43 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.5 138.06 30.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.08 -14.14 15.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' THR . 6.5 tt0 -130.93 166.31 21.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.4 p -152.36 165.31 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.106 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.1 mt -103.71 157.88 16.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.6 tt0 -114.58 71.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' B' ' 62' ' ' ILE . . . 84.34 99.39 0.62 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.907 HG13 HD13 ' B' ' 15' ' ' LEU . 6.5 mm -112.42 157.6 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.409 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -58.34 131.63 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 11.7 tp -88.03 14.4 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -100.23 -8.86 23.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' B' ' 45' ' ' LYS . 1.8 m-20 -110.46 -27.47 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.899 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.7 OUTLIER -67.09 128.09 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -100.56 -24.6 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -165.42 165.57 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.993 HG11 HG12 ' B' ' 63' ' ' ILE . 44.3 t -125.53 136.47 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 9.8 tptm -125.41 120.69 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.544 HG11 ' CD1' ' A' ' 67' ' ' LEU . 59.8 t -107.19 117.55 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 81.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -47.96 163.1 0.3 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 161.21 39.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.04 -158.81 9.35 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.593 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.72 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.593 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -110.97 -54.26 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -110.92 121.26 44.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.339 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.71 23.67 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.44 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.0 OUTLIER -127.6 151.29 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' B' ' 54' ' ' PRO . 23.5 m -78.0 161.77 27.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' SG ' ' B' ' 9' ' ' CYS . 1.2 tp10 -140.19 69.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' B' ' 54' ' ' PRO . 62.6 t -69.15 121.36 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.514 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.2 mm -118.37 151.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.899 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -135.71 122.69 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.447 ' N ' ' O ' ' B' ' 25' ' ' SER . 17.7 m -74.76 142.19 44.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -94.26 154.18 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 1.3 mptm? -74.25 -6.39 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.9 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.95 -12.4 31.97 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -80.61 -170.4 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -145.45 143.93 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 1.106 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -123.66 107.18 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.514 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.0 OUTLIER -63.13 138.77 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' B' ' 59' ' ' VAL . 23.9 mt -109.44 165.89 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.847 ' O ' HG21 ' B' ' 59' ' ' VAL . 19.3 t30 -96.82 110.29 52.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.556 ' HB3' HG23 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.05 46.5 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.51 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 28.5 t -127.62 147.56 63.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.568 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -99.36 -19.15 17.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.847 HG21 ' O ' ' B' ' 53' ' ' ASN . 3.6 t -75.77 -19.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.545 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -95.29 3.67 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -117.23 -15.85 10.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.59 HD11 ' HA2' ' B' ' 17' ' ' GLY . 10.7 mt -92.99 -16.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.993 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -94.3 -55.69 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.93 -34.89 60.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 6.3 mtpt -72.73 -35.32 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.512 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -62.93 -38.94 92.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.899 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.4 mp -70.69 -15.41 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.2 OUTLIER -102.63 -27.2 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 6.2 t-20 61.89 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 44.53 -111.43 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -147.74 -62.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 28.1 t -179.09 74.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -114.74 85.87 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.831 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -104.88 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 -143.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 57.3 m -83.85 160.21 21.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -91.77 -5.36 53.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 132.1 20.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -92.24 -18.79 22.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 14' ' ' THR . 9.4 tt0 -135.15 168.19 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.6 p -151.45 165.4 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.439 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.893 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 17.6 mt -99.43 -178.17 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 4.7 tp60 -103.41 -14.21 16.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.481 ' CA ' ' CD1' ' A' ' 62' ' ' ILE . . . 134.26 100.64 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 15' ' ' LEU . 24.2 mt -85.0 158.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -55.42 141.57 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HG2' ' A' ' 66' ' ' MET . 15.6 tp -78.34 0.68 24.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -80.3 -4.59 53.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' OD1' HD21 ' A' ' 44' ' ' LEU . 5.7 m-80 -115.73 -57.58 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.744 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -42.05 129.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.27 -24.45 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.431 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 0.3 OUTLIER -144.56 162.68 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.562 HG23 ' HE2' ' A' ' 66' ' ' MET . 25.5 t -129.79 138.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.02 123.95 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.944 HG11 ' CD1' ' B' ' 67' ' ' LEU . 24.9 t -119.92 118.54 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.29 98.73 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -57.65 171.54 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.05 21.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.46 -159.66 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.805 ' CD2' HD23 ' A' ' 7' ' ' LEU . 1.1 p-80 -110.75 -53.52 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.08 124.42 52.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.326 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.17 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.78 152.09 51.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.224 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 33.1 m -82.02 162.62 22.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.71 86.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 63' ' ' ILE . 43.4 t -76.72 128.01 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 40' ' ' VAL . 2.7 mm -124.22 131.53 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -119.8 134.14 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -87.79 135.4 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.9 149.93 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.09 -4.38 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.33 -8.94 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.79 -10.02 32.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -173.05 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.242 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.57 144.54 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -128.23 108.88 10.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.876 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.1 m -66.31 137.19 56.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -114.86 156.38 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.489 ' O ' HG21 ' A' ' 59' ' ' VAL . 9.6 t-20 -93.21 123.59 60.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.99 1.21 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 53' ' ' ASN . . . -108.56 14.72 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -111.77 145.15 32.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.98 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -27.14 68.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.2 t -69.51 -16.17 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.79 3.66 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -116.39 -15.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' ' CA ' ' A' ' 17' ' ' GLY . 15.1 mt -94.15 -16.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 40' ' ' VAL . 16.5 mt -93.76 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 62.8 mt-10 -51.8 -36.39 47.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -73.65 -33.52 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.667 ' HG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.23 -36.47 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD12 HG11 ' B' ' 28' ' ' VAL . 7.7 mp -69.66 -15.69 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.2 mmtt -103.78 -29.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 62.15 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 120.06 -173.93 15.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -175.4 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.08 -53.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -114.76 85.13 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -104.89 167.65 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -135.0 -145.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 m -97.4 141.02 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -5.99 47.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.61 134.97 24.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -102.37 -15.02 16.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.463 ' O ' HG23 ' B' ' 14' ' ' THR . 6.8 tt0 -135.08 168.24 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -152.81 165.57 34.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.799 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 13.2 mt -103.33 176.63 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.0 tm0? -94.61 -11.01 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.55 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 126.63 95.25 0.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.9 mt -77.61 163.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.493 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -51.75 135.65 28.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' B' ' 66' ' ' MET . 36.3 tp -80.36 3.21 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -86.92 -4.33 59.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -112.91 -44.93 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.772 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.9 OUTLIER -53.26 135.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -115.02 -25.64 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.58 159.11 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.955 HG11 HG12 ' B' ' 63' ' ' ILE . 42.9 t -133.99 139.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -134.65 127.04 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 67' ' ' LEU . 2.7 t -108.99 114.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -108.17 86.58 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.475 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -54.57 171.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.46 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -75.02 -174.13 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.78 -158.95 15.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.6 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.6 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.78 -56.56 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -113.95 119.27 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 108.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.6 24.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 11.8 mt-30 -129.37 159.09 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.499 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 14.9 m -87.02 160.34 18.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -147.28 91.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.7 HG22 HG22 ' B' ' 28' ' ' VAL . 54.2 t -87.0 109.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.851 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.4 mm -106.84 133.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.772 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -120.97 130.08 53.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 33.4 m -86.68 138.68 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -87.8 149.02 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.18 -4.41 32.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.0 OUTLIER -100.14 -7.5 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.79 -8.38 36.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' B' ' 44' ' ' LEU . 43.9 mt-30 -82.46 -175.95 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -146.75 144.59 29.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.63 112.16 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.851 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.1 m -69.01 137.69 53.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.55 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.3 mt -110.11 165.58 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.884 ' O ' HG21 ' B' ' 59' ' ' VAL . 8.3 t-20 -94.12 120.73 65.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.499 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.08 23.57 13.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.481 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 4.7 t -116.83 143.31 31.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.3 14.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.3 tpp -76.0 -20.55 57.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.884 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.88 -20.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.69 4.06 54.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -116.72 -15.82 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.785 HG23 HD13 ' B' ' 20' ' ' LEU . 13.5 mt -92.6 -16.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.955 HG12 HG11 ' B' ' 26' ' ' VAL . 14.4 mt -92.77 -55.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -53.32 -36.07 60.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 22.4 mmtm -76.34 -27.57 56.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.978 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.2 mmm -70.25 -38.67 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.944 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -72.3 -15.53 61.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -103.97 -27.22 12.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.9 t-20 62.11 -77.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -168.18 -175.01 37.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 -60.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m 61.97 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 p30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.47 86.4 2.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -103.81 176.92 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -135.92 -143.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 65.6 m -78.01 157.49 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -2.06 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.68 133.3 22.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.8 -16.13 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' THR . 3.4 tm0? -134.37 168.2 19.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -151.99 165.46 34.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.849 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.4 mt -107.31 140.08 40.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 16.9 tt0 -64.95 -11.02 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 99.13 1.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 9.2 mt -94.39 162.48 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.3 t-160 -48.14 136.48 11.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.876 HD13 ' CG2' ' A' ' 62' ' ' ILE . 15.1 tp -80.67 2.77 24.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -19.49 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.612 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.1 m-80 -102.87 -43.72 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.755 ' HB ' HD12 ' A' ' 20' ' ' LEU . 5.6 mt -56.22 133.69 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.78 -24.28 9.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.92 157.15 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.943 HG11 HG12 ' A' ' 63' ' ' ILE . 38.6 t -127.09 134.43 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -128.75 127.02 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.978 HG23 HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -107.32 133.34 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 30' ' ' SER . 2.2 tmtt? -124.84 83.73 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -46.51 174.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 166.49 29.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.48 -161.86 8.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.03 8.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.834 ' CG ' HD23 ' A' ' 7' ' ' LEU . 1.2 p-80 -113.74 -53.04 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.55 124.56 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.256 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.72 23.78 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.2 mt-30 -125.34 161.25 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -82.68 161.48 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.817 ' CD ' HD11 ' A' ' 41' ' ' ILE . 1.9 tt0 -149.06 106.13 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 28' ' ' VAL . 72.0 t -102.28 115.91 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.817 HD11 ' CD ' ' A' ' 39' ' ' GLU . 3.6 mp -119.42 118.37 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.81 143.45 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m -92.73 144.24 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -90.33 150.8 21.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -74.87 -3.37 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.453 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.51 -8.46 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.93 32.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.08 -172.59 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -145.54 144.79 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.849 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.62 112.11 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -70.63 139.46 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 108.337 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 59' ' ' VAL . 23.9 mt -111.01 165.19 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 42.1 t30 -95.85 111.22 55.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HB3' HG23 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 47.84 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -166.83 30.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -123.03 149.23 56.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.45 18.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 62' ' ' ILE . 20.3 tpp -96.29 -33.55 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.3 t -65.55 -18.24 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 6.2 mmmm -95.13 3.26 54.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.1 mttm -118.92 -12.13 9.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.876 ' CG2' HD13 ' A' ' 20' ' ' LEU . 14.0 mt -94.45 -16.34 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.943 HG12 HG11 ' A' ' 26' ' ' VAL . 15.5 mt -95.9 -56.74 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 71.6 mt-10 -51.6 -28.94 15.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -84.04 -32.17 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.787 ' HG2' HD11 ' A' ' 20' ' ' LEU . 2.4 mmm -63.49 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.751 HD11 HG21 ' B' ' 28' ' ' VAL . 8.7 mp -71.12 -14.97 62.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -104.6 -23.74 13.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LYS . 26.3 t-20 61.71 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 146.25 -16.63 1.7 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -68.81 -171.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.92 95.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -110.65 72.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -107.02 168.2 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -134.35 -143.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.34 158.7 15.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -4.48 58.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 134.0 24.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.85 -18.23 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.97 169.36 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -150.26 165.61 32.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.988 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.0 mt -99.21 159.89 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -89.79 -14.03 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.53 99.5 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 9.7 mt -99.47 163.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.49 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -57.09 133.82 55.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.831 HD11 ' HG2' ' B' ' 66' ' ' MET . 10.2 tp -79.86 1.75 25.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -69.69 -9.51 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HB3' HD21 ' B' ' 44' ' ' LEU . 10.7 m-80 -112.2 -43.65 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.63 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.6 mt -52.36 133.36 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.64 -25.47 8.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.18 164.83 34.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.608 ' HB ' HG12 ' A' ' 28' ' ' VAL . 42.4 t -126.83 143.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 19.5 tptt -132.15 120.71 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.751 HG21 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -114.67 116.21 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.25 97.65 5.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -56.85 176.46 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -74.99 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.54 -161.88 11.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.05 1.45 7.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -114.53 -49.57 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -114.63 118.1 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.295 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.41 24.17 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -129.43 159.22 36.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -81.28 158.69 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -140.87 81.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.778 ' O ' HD13 ' B' ' 41' ' ' ILE . 39.9 t -80.4 126.35 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.806 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.64 156.68 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -143.35 133.58 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -85.33 141.33 30.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -89.56 150.42 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.99 38.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.36 -8.18 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.61 -8.83 34.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.11 -173.28 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -145.5 144.49 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.988 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.13 111.73 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.806 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.79 139.37 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' B' ' 59' ' ' VAL . 19.9 mt -112.04 156.62 21.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -90.93 120.28 68.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.495 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.5 Cg_endo -74.96 1.06 8.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.9 10.6 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t -107.91 143.01 26.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -35.52 3.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -28.11 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.653 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -69.47 -14.48 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.3 OUTLIER -97.54 3.53 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 22.6 mttt -117.63 -15.52 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.603 ' CG2' HD13 ' B' ' 20' ' ' LEU . 16.7 mt -92.45 -16.45 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.674 HD11 HG11 ' B' ' 40' ' ' VAL . 46.3 mt -95.52 -54.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 58.2 mt-10 -58.03 -34.29 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.7 -29.28 62.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -66.27 -39.64 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.905 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.6 mp -69.88 -15.9 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -102.64 -27.04 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 21.5 t-20 62.23 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -162.45 133.32 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.97 -69.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -179.11 100.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.13 83.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.6 mp -104.74 167.27 9.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.24 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -90.65 148.38 22.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.72 -5.41 50.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 127.16 16.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mt -92.44 -20.15 21.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 14' ' ' THR . 1.6 tp60 -129.11 170.45 13.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.1 p -158.83 165.65 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.997 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.1 mt -99.07 175.83 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tm0? -108.73 -15.37 14.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.12 102.23 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -101.73 158.13 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -51.34 138.97 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 66' ' ' MET . 10.2 tp -85.1 7.95 19.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -85.48 -22.63 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.1 m-80 -96.07 -39.86 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.3 mt -56.93 132.85 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -111.42 -25.05 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 162.16 29.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.934 HG23 ' SD ' ' A' ' 66' ' ' MET . 48.3 t -124.38 135.81 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 25' ' ' SER . 11.2 tptm -125.09 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.609 HG11 HD12 ' B' ' 67' ' ' LEU . 18.2 t -109.75 116.62 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.48 82.03 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -42.43 162.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.54 -157.61 8.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -114.1 -56.1 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 43.0 t -103.68 117.59 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 24.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 3.9 mp0 -134.36 153.55 51.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 4.1 m -73.32 156.73 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -134.93 81.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -77.37 123.72 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mt -126.89 111.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -99.26 131.4 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -85.15 149.96 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -5.26 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.48 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.73 -9.49 34.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.8 mt-30 -82.96 -176.52 6.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -142.64 144.06 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.997 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.55 109.65 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.75 138.11 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.7 mt -112.74 154.45 26.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -89.38 115.93 65.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.79 5.94 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -106.28 145.43 30.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -32.12 5.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.14 -19.2 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.805 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.0 t -84.24 -3.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.01 3.86 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -15.66 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 58' ' ' MET . 15.9 mt -92.91 -16.65 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 26' ' ' VAL . 18.0 mt -94.85 -56.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.94 -25.09 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -89.1 -29.61 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.934 ' SD ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -54.95 -38.05 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.59 ' HG ' HG11 ' B' ' 28' ' ' VAL . 5.8 mp -68.61 -14.23 62.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -105.13 -32.68 8.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.1 t30 61.33 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 176.56 -166.05 36.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.58 86.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 77.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.405 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.6 mp -107.64 167.9 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.54 -145.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.0 m -104.08 146.21 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -2.95 28.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 129.46 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.95 -15.23 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.526 ' O ' HG23 ' B' ' 14' ' ' THR . 0.5 OUTLIER -133.86 169.42 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -154.7 165.38 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.971 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.9 mt -94.0 173.35 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.4 tm0? -111.72 -14.75 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.88 98.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 HD13 ' B' ' 15' ' ' LEU . 2.9 mm -103.61 161.13 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.46 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -56.27 131.11 47.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.871 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.5 tm? -87.84 15.48 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -95.21 -24.67 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.51 ' HB3' HD21 ' B' ' 44' ' ' LEU . 2.5 m-20 -91.41 -32.91 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.638 ' HB ' HD22 ' B' ' 20' ' ' LEU . 0.9 OUTLIER -56.71 135.6 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -112.96 -25.3 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.73 162.82 39.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.525 HG11 HG12 ' B' ' 63' ' ' ILE . 24.2 t -125.22 130.2 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.0 tptp -123.86 122.06 37.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.59 HG11 ' HG ' ' A' ' 67' ' ' LEU . 76.0 t -115.7 124.95 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 90.0 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.7 OUTLIER -50.71 -179.76 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.3 Cg_endo -74.98 -175.13 2.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.49 -157.53 9.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PRO . . . . . 0.649 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.99 1.49 7.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -120.1 -60.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.8 OUTLIER -97.54 116.78 30.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.261 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.22 24.65 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 31' ' ' PRO . 48.1 mm-40 -118.14 -129.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -151.97 160.81 43.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 38' ' ' THR . 1.9 tp10 -141.94 102.2 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.697 HG11 HD11 ' B' ' 63' ' ' ILE . 74.5 t -104.23 116.08 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 mp -125.67 126.25 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.562 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -112.2 135.82 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.5 m -84.5 141.09 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -89.38 150.35 22.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LYS . . . . . 0.51 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -73.68 -4.78 36.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.606 ' ND2' ' O ' ' B' ' 46' ' ' ASN . 0.1 OUTLIER -99.38 -8.93 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.14 -7.86 32.97 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.452 1.095 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -84.36 -172.81 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -146.47 145.0 30.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.49 110.09 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -69.58 137.03 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' B' ' 15' ' ' LEU . 23.2 mt -110.84 164.19 13.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.549 ' H ' HG21 ' B' ' 59' ' ' VAL . 63.5 t30 -103.33 116.6 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.28 11.71 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 21.3 t -116.61 144.23 32.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.13 10.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.453 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -75.41 -22.05 57.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' VAL . . . . . 0.667 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.5 t -81.06 -11.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.61 3.57 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -117.6 -15.55 10.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.805 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.1 mt -90.71 -17.91 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ILE . . . . . 0.697 HD11 HG11 ' B' ' 40' ' ' VAL . 16.2 mt -92.55 -57.8 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.78 -36.33 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -69.87 -38.51 76.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.7 mmm -56.04 -41.33 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.609 HD12 HG11 ' A' ' 28' ' ' VAL . 6.6 mp -66.07 -15.81 63.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 3.9 mtmt -101.4 -23.75 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t30 61.96 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -97.39 157.34 20.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -77.55 -171.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 p -173.57 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 m -93.86 152.19 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.43 7.31 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.1 115.03 19.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 108.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.36 -25.86 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' THR . 4.8 tt0 -134.83 178.35 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.0 p -158.56 159.73 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.052 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mt -122.05 134.71 54.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.5 tt0 -102.55 68.33 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.49 104.69 2.9 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 15' ' ' LEU . 4.9 mm -131.52 159.79 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.9 135.17 49.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.644 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.9 tp -85.11 8.77 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -90.74 -24.04 20.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 44' ' ' LEU . 2.0 m-20 -91.31 -40.75 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.49 127.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.65 -19.14 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.06 156.63 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -128.56 133.05 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.58 123.68 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.823 HG11 ' CD1' ' B' ' 67' ' ' LEU . 25.6 t -116.15 117.27 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 91.42 3.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.464 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -48.29 173.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.39 -160.36 8.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -111.54 -52.97 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.639 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.59 124.7 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.12 24.17 3.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.31 157.81 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 17.1 m -82.47 161.87 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -146.61 79.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.738 HG11 HD11 ' A' ' 63' ' ' ILE . 84.6 t -72.79 122.08 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.2 mt -122.61 116.94 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.72 140.06 41.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -88.21 140.43 29.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -87.45 153.28 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.591 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -77.05 -0.6 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.83 -8.13 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.08 -4.97 33.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -88.39 -172.25 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -144.68 145.4 31.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.052 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.08 111.66 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' LEU . 7.1 m -70.35 137.36 50.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.7 mt -105.08 164.04 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' HG11 ' A' ' 59' ' ' VAL . 26.4 t30 -97.85 110.19 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 48.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.49 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 t -126.09 147.31 58.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -93.5 -25.49 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.738 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.7 t -71.74 -15.4 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 4.14 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -116.86 -15.35 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -16.87 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.9 mt -93.77 -55.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -52.7 -36.27 56.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 2.9 mtmt -70.62 -38.87 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.702 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.6 mmm -55.64 -38.06 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.789 HD12 HG11 ' B' ' 28' ' ' VAL . 8.1 mp -67.47 -16.5 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.4 mptt -100.68 -28.81 12.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 20.3 t30 62.03 -78.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.6 m -91.46 156.4 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -5.21 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 126.91 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 -21.59 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.58 169.35 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -149.57 165.68 31.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.032 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 20.1 mt -97.55 161.25 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 9.2 tt0 -93.33 -12.26 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.96 98.0 0.49 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.4 mt -100.21 163.19 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.492 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -51.66 135.13 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.986 HD11 ' HG2' ' B' ' 66' ' ' MET . 34.8 tp -84.01 7.24 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -81.28 -19.25 43.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.548 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.0 m-20 -97.74 -40.94 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.723 ' HB ' HD12 ' B' ' 20' ' ' LEU . 2.7 mt -57.77 128.81 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -20.23 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.36 154.5 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 1.023 HG11 HG12 ' B' ' 63' ' ' ILE . 37.3 t -128.9 132.0 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.76 126.82 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 40' ' ' VAL . 2.2 t -113.29 124.73 70.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -123.83 86.13 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -46.71 173.51 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -74.99 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.06 -157.59 8.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.99 0.85 8.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.9 p-80 -116.59 -58.19 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 44.1 t -101.71 114.53 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' B' ' 37' ' ' GLN . . . -91.54 24.4 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' B' ' 36' ' ' ALA . 36.9 mm-40 -134.18 155.53 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.2 m -82.3 156.3 24.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.86 96.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 28' ' ' VAL . 64.1 t -86.25 127.61 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -125.38 116.83 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.65 145.16 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -93.95 131.99 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -78.69 150.5 32.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.513 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.65 -3.83 33.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.2 -8.75 24.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.96 -6.92 32.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -86.37 -172.55 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -144.24 144.54 31.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 1.032 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -136.33 114.94 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.17 143.05 43.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.6 mt -111.56 165.7 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.808 ' O ' HG21 ' B' ' 59' ' ' VAL . 58.3 t30 -97.67 118.03 64.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.92 1.77 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.67 21.84 15.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.513 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 6.0 t -119.4 140.43 29.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -10.06 20.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.528 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -90.6 -13.6 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.808 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.6 t -81.3 -17.39 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -93.74 3.41 55.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -16.18 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.747 HG23 HD13 ' B' ' 20' ' ' LEU . 17.7 mt -90.28 -16.93 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 1.023 HG12 HG11 ' B' ' 26' ' ' VAL . 16.5 mt -93.23 -58.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -50.35 -33.87 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.9 OUTLIER -73.95 -37.63 64.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.986 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.1 mmm -59.96 -42.69 94.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.823 ' CD1' HG11 ' A' ' 28' ' ' VAL . 10.1 mp -67.14 -15.6 63.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -101.78 -26.6 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 65' ' ' LYS . 8.2 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -91.98 147.71 22.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -5.32 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 134.67 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.25 -14.98 16.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -135.3 166.81 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -151.96 164.64 36.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.928 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 mt -94.86 -179.6 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -113.82 -16.12 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.02 100.39 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 23' ' ' ILE . 7.1 mm -96.29 161.86 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.37 138.81 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.9 tp -77.19 -0.63 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -85.52 -12.79 50.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.6 m-20 -104.57 -46.22 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD12 HG22 ' A' ' 18' ' ' ILE . 1.3 mt -59.52 132.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 -14.97 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.48 161.72 30.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 63' ' ' ILE . 75.3 t -128.4 142.99 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -140.07 126.59 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.727 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.5 t -115.91 100.7 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.1 82.76 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' ' HE1' ' B' ' 66' ' ' MET . 0.6 OUTLIER -45.44 170.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.47 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -74.95 178.42 7.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.13 -157.69 8.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -117.53 -56.57 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.0 t -103.11 116.93 33.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.79 24.28 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 26.1 mm-40 -137.21 152.4 49.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m -78.46 165.15 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -155.9 83.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 28' ' ' VAL . 64.1 t -68.08 128.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mt -128.99 108.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -98.71 141.21 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -88.42 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.39 149.7 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -3.29 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.01 -9.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.5 -8.84 30.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -85.25 -170.85 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -145.1 145.18 31.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.58 111.81 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.713 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -71.87 139.12 48.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 15' ' ' LEU . 12.9 mt -112.53 160.44 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.06 118.73 66.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.46 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.45 14.48 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 t -114.99 145.41 33.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -41.43 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -24.05 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 63' ' ' ILE . 17.0 t -76.3 -2.67 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.29 3.11 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -16.23 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -90.35 -16.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 59' ' ' VAL . 17.2 mt -93.53 -57.31 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -53.04 -33.21 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 11.6 mttp -73.99 -35.88 64.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.626 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.5 mmm -58.01 -37.39 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.8 mp -70.06 -15.38 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.77 -28.65 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.7 t-20 61.6 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 46.1 m -98.11 169.85 9.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -101.82 -5.29 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.66 135.83 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -15.98 17.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.457 ' O ' HG23 ' B' ' 14' ' ' THR . 0.6 OUTLIER -135.43 169.07 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.457 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.0 OUTLIER -152.63 165.41 35.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.777 HD12 ' HB1' ' B' ' 50' ' ' ALA . 95.7 mt -103.65 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.6 -13.03 52.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.09 99.74 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.77 ' CG1' HD13 ' B' ' 15' ' ' LEU . 4.7 mm -78.74 154.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.8 138.56 10.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.495 HD11 ' HG2' ' B' ' 66' ' ' MET . 47.4 tp -83.01 5.69 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -23.1 20.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.489 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.8 m-20 -94.1 -49.32 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -47.11 128.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.71 -25.03 9.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.5 OUTLIER -147.13 159.81 43.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' B' ' 66' ' ' MET . 25.6 t -127.42 133.44 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 17.9 tptp -126.79 120.7 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.547 HG11 ' CD1' ' A' ' 67' ' ' LEU . 22.3 t -113.77 118.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.69 90.94 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.6 OUTLIER -56.01 171.13 0.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.98 170.8 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.84 -160.72 8.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.57 7.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.14 -53.37 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.32 123.12 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.38 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 22.0 mm-40 -126.09 153.1 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -81.34 158.42 24.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.56 81.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.815 ' O ' HD13 ' B' ' 41' ' ' ILE . 60.3 t -79.88 124.48 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.815 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.3 mm -126.41 152.93 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -141.69 129.63 21.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.8 m -81.62 139.48 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.505 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -87.92 149.97 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.505 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.62 -4.97 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.2 -8.34 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.36 -5.91 35.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.1 -172.9 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 145.03 31.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.777 ' HB1' HD12 ' B' ' 15' ' ' LEU . . . -131.53 111.84 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.18 136.62 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 23.5 mt -110.85 158.83 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.469 HD21 ' HB3' ' B' ' 55' ' ' ALA . 66.2 t30 -93.08 120.07 67.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.494 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.469 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -106.16 15.01 26.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.0 t -114.53 144.49 31.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.667 ' HG3' HD11 ' B' ' 62' ' ' ILE . 32.9 tpp -59.06 -26.73 64.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.739 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -70.02 -16.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 3.9 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -116.62 -15.98 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.667 HD11 ' HG3' ' B' ' 58' ' ' MET . 15.3 mt -93.31 -16.57 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.739 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.0 mt -93.68 -55.57 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -53.12 -35.8 60.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 69' ' ' ASN . 10.5 mmtt -71.11 -36.78 72.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.706 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.5 mmm -59.8 -38.94 83.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.727 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -69.44 -15.6 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.33 -23.64 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.6 t30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.6 m -96.8 161.48 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.44 -3.03 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 133.05 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.53 -15.5 18.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -134.69 169.85 16.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.9 p -153.74 165.17 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.901 HD13 HD13 ' A' ' 18' ' ' ILE . 4.0 mt -104.09 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -97.03 -14.74 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.52 102.63 0.96 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.901 HD13 HD13 ' A' ' 15' ' ' LEU . 3.9 mp -95.29 163.89 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.463 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -43.97 136.95 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.605 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.71 12.57 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -89.97 -22.19 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.3 m-20 -94.67 -39.84 10.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.9 mt -55.42 133.95 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -23.56 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.47 161.32 35.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.994 HG11 HG12 ' A' ' 63' ' ' ILE . 41.0 t -131.45 136.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -129.54 126.6 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.914 HG11 ' HG ' ' B' ' 67' ' ' LEU . 53.8 t -114.67 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 86.2 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -47.32 171.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.02 171.92 17.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 -161.75 9.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.49 7.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -112.82 -51.37 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.647 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 126.13 54.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.25 23.98 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 34.3 mm-40 -130.18 156.26 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.7 m -83.26 162.52 21.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -144.96 79.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' A' ' 28' ' ' VAL . 55.4 t -73.27 114.64 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.18 117.23 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.26 143.7 36.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -91.87 139.77 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -87.54 150.51 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.35 -3.95 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.8 -7.69 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.94 -5.2 36.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -87.36 -172.7 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -145.66 145.58 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.79 113.52 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.22 138.54 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 27.9 mt -109.57 165.46 11.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 60.1 t30 -92.27 112.29 54.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 48.17 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.93 32.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.8 151.99 58.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.15 10.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.562 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -82.88 -17.93 42.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.697 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.9 t -78.38 -9.77 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -101.99 2.62 38.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 -14.93 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.836 HG23 HD23 ' A' ' 20' ' ' LEU . 12.5 mt -90.69 -17.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.994 HG12 HG11 ' A' ' 26' ' ' VAL . 15.9 mt -93.85 -57.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -53.21 -29.98 35.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -34.85 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.863 ' HG2' HD21 ' A' ' 20' ' ' LEU . 2.5 mmm -62.0 -35.28 78.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 63' ' ' ILE . 9.0 mp -71.41 -16.01 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -102.94 -31.28 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.2 t30 61.75 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m -100.38 151.33 21.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -3.73 49.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 131.74 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -93.94 -17.76 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.509 ' O ' HG23 ' B' ' 14' ' ' THR . 0.7 OUTLIER -134.22 170.81 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -154.7 165.12 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.022 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 3.8 mt -97.87 176.61 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' B' ' 16' ' ' GLN . 4.4 tp60 -110.77 -13.37 14.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.27 96.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' B' ' 18' ' ' ILE . 4.1 mm -91.74 162.36 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.48 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -58.63 137.41 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' B' ' 66' ' ' MET . 48.2 tp -86.59 10.58 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -92.82 -13.03 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.591 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.1 m-20 -103.87 -49.1 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.805 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.8 OUTLIER -45.97 129.25 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -25.05 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -147.49 163.05 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.743 HG11 HG23 ' B' ' 63' ' ' ILE . 25.2 t -131.82 132.46 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.9 tptp -125.51 120.5 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -111.6 115.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -116.2 87.4 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.474 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.2 p -48.84 167.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.77 -160.78 9.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.595 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.595 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.11 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.07 48.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.41 24.5 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.414 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.5 mm-40 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 28.7 m -75.72 163.56 27.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 9' ' ' CYS . 0.4 OUTLIER -139.98 83.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.803 HG11 HD11 ' B' ' 63' ' ' ILE . 97.1 t -81.27 122.17 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.6 mt -125.22 111.7 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.805 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -100.48 130.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.9 m -81.95 144.26 31.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -93.17 149.94 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.515 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.51 -4.8 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.96 -10.3 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.02 -12.44 29.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 30.2 mt-30 -82.86 -175.18 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -143.61 145.83 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 1.022 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.92 110.04 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.661 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -67.63 138.28 56.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' B' ' 15' ' ' LEU . 25.1 mt -110.65 165.29 11.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.445 ' H ' HG21 ' B' ' 59' ' ' VAL . 51.0 t30 -100.52 116.72 64.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.08 1.02 8.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.21 4.56 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -109.82 147.84 36.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.05 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.59 -20.55 48.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.758 ' O ' HD12 ' B' ' 63' ' ' ILE . 35.3 t -82.84 -3.51 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -107.38 3.55 25.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -15.68 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.545 HD12 ' O ' ' B' ' 58' ' ' MET . 15.3 mt -92.47 -16.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.803 HD11 HG11 ' B' ' 40' ' ' VAL . 44.0 mt -93.63 -55.68 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.06 -35.47 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.6 OUTLIER -70.8 -35.82 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.77 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.4 tmm? -57.91 -38.14 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.914 ' HG ' HG11 ' A' ' 28' ' ' VAL . 7.6 mp -69.51 -15.23 63.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 1.9 ttmt -103.64 -26.63 12.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 9.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 35.6 m -94.65 154.5 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 5.74 50.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.74 114.46 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.08 -25.82 23.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.624 ' O ' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -135.42 178.46 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.4 p -158.66 160.32 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.108 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -117.96 139.9 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.7 tt0 -98.97 66.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD11 ' A' ' 62' ' ' ILE . . . 93.53 98.71 1.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 HG13 HD13 ' A' ' 15' ' ' LEU . 2.3 mm -118.79 155.05 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.06 132.93 55.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.56 HD11 ' HG2' ' A' ' 66' ' ' MET . 8.9 tp -86.82 13.35 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -89.88 -17.44 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.529 ' CG ' HD21 ' A' ' 44' ' ' LEU . 6.5 m-20 -98.77 -39.97 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -57.55 129.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -25.1 8.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.455 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.96 164.87 29.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 29.5 t -131.47 134.98 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' B' ' 27' ' ' LYS . 8.6 tptt -131.47 120.99 23.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.675 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.4 t -113.11 121.65 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -124.07 87.05 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -48.17 176.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -74.96 174.83 12.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.49 -162.87 10.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -112.71 -49.63 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 120.4 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.03 24.07 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 18.6 mm-40 -126.12 160.34 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 32.6 m -76.49 161.88 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -144.76 78.12 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.58 124.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.3 mt -128.11 119.32 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -108.72 132.68 53.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 17.1 m -82.89 145.52 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -93.84 150.75 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.538 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.98 -4.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.9 -9.14 24.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.88 -11.81 32.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -82.48 -172.93 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -144.64 145.29 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.108 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.43 110.59 11.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.4 m -67.61 140.25 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.596 ' HB3' HG22 ' A' ' 59' ' ' VAL . 50.8 mt -104.27 165.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.741 ' O ' HG21 ' A' ' 59' ' ' VAL . 12.9 t30 -98.79 109.05 52.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 45.84 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.97 25.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 44.0 t -128.78 145.12 55.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.606 ' O ' HD12 ' A' ' 62' ' ' ILE . 4.5 tpp -101.71 -16.16 16.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 53' ' ' ASN . 3.1 t -80.23 -20.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.7 3.79 54.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.22 -16.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 58' ' ' MET . 20.2 mt -91.32 -17.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.8 mt -92.5 -58.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -48.49 -35.95 14.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.2 mmtt -71.93 -38.08 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.56 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.1 mmm -57.57 -39.71 77.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' B' ' 28' ' ' VAL . 6.5 mp -68.08 -15.58 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.29 -30.32 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t-20 61.73 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 64.3 m -101.73 145.88 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -2.27 47.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 137.0 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.06 -15.13 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -135.16 168.17 19.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.4 p -152.5 163.94 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.872 HD13 HG13 ' B' ' 18' ' ' ILE . 10.2 mt -95.19 -177.44 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -112.6 -13.71 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.63 101.38 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.872 HG13 HD13 ' B' ' 15' ' ' LEU . 2.5 mm -97.56 159.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.749 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.482 ' CG ' ' HD3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -61.88 145.82 51.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' B' ' 66' ' ' MET . 12.1 tp -85.48 7.61 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -88.84 -20.93 24.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.436 ' OD1' HD21 ' B' ' 44' ' ' LEU . 8.3 m-20 -98.2 -49.59 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.619 HD12 HG22 ' B' ' 18' ' ' ILE . 1.5 mt -55.45 128.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -18.06 11.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.77 158.9 42.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' B' ' 66' ' ' MET . 26.0 t -129.25 133.07 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.19 125.62 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 40' ' ' VAL . 45.8 t -118.51 104.44 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.06 87.31 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -52.74 169.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.48 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -75.01 168.5 24.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.55 -156.9 7.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.629 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 2.89 6.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.629 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.2 p-80 -113.23 -53.94 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 128.19 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.346 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' B' ' 37' ' ' GLN . . . -97.35 23.13 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.48 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 2.9 mt-30 -131.33 158.3 41.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -89.75 162.35 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -155.09 95.56 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 28' ' ' VAL . 93.2 t -82.07 123.0 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.39 107.44 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.18 138.57 36.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -86.46 135.71 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.521 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -83.04 150.46 26.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.521 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.51 -3.5 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.08 -8.28 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.12 -9.87 33.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.07 -172.56 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -144.21 144.72 31.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.82 114.15 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -74.86 138.93 42.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 15' ' ' LEU . 21.1 mt -111.81 161.26 16.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.486 ' O ' HG11 ' B' ' 59' ' ' VAL . 51.2 t30 -95.88 118.56 65.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.4 8.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.02 1.65 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.424 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 15.0 t -99.58 143.41 26.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.0 Cg_endo -75.05 -29.79 7.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -20.68 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.4 t -78.92 -5.13 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 3.19 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -15.9 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 16.4 mt -91.71 -16.47 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.785 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.1 mt -93.97 -54.64 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.32 -34.05 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 9.8 mmtp -72.9 -33.71 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.712 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.0 OUTLIER -59.18 -37.67 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.675 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.4 mp -69.06 -15.37 63.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.45 -29.99 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 25.0 t-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.1 m -97.1 169.26 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.335 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -1.86 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 119.82 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.59 -14.89 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -127.8 173.32 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -158.45 165.72 33.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.096 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.3 mt -104.89 -178.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -90.39 -13.16 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 148.24 -31.97 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.967 HG13 HD13 ' A' ' 15' ' ' LEU . 16.1 mm 55.6 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -72.3 141.25 48.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 66' ' ' MET . 7.8 tp -81.28 -0.33 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 29.4 mtpt -86.95 -8.44 57.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.538 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.4 m-20 -108.33 -38.86 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.7 132.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.49 -25.11 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -148.03 157.05 43.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.711 HG11 HG12 ' A' ' 63' ' ' ILE . 39.5 t -127.59 136.11 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -132.45 125.64 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.754 HG21 ' HG ' ' B' ' 67' ' ' LEU . 0.5 OUTLIER -113.65 125.5 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 87.68 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -53.97 174.84 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.99 176.58 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.34 -160.93 9.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.25 7.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.47 -49.28 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 124.32 51.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.58 24.68 6.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 8.7 mm-40 -128.4 162.16 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 39' ' ' GLU . 24.6 m -90.35 172.78 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 8.0 pt-20 -168.91 113.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' CYS . 58.5 t -102.82 127.73 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.36 108.91 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.64 137.65 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 19.4 m -86.37 135.9 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -82.18 149.46 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.31 -2.68 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.46 -8.63 22.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.43 -1.17 34.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -91.62 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.733 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -144.08 144.93 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.096 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -140.08 117.43 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.74 146.06 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.75 HD22 ' HA2' ' A' ' 17' ' ' GLY . 14.9 mt -112.19 163.79 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.769 ' O ' HG21 ' A' ' 59' ' ' VAL . 61.5 t30 -92.37 117.1 67.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.37 11.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -103.57 17.21 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 11.1 t -119.25 140.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.2 8.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -20.34 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.1 t -70.45 -18.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.13 3.97 54.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -114.34 -16.61 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.513 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.4 mt -94.64 -16.67 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.711 HG12 HG11 ' A' ' 26' ' ' VAL . 27.1 mt -93.85 -55.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.33 -36.12 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.9 mttm -73.17 -32.7 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.706 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.62 -38.31 87.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.671 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.1 -15.63 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -102.75 -30.36 10.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 61.62 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 55.5 m -93.55 146.91 23.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -5.1 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 136.6 26.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -104.15 -15.99 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.577 ' O ' HG23 ' B' ' 14' ' ' THR . 1.0 OUTLIER -134.62 172.57 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.577 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.9 165.91 34.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.086 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 9.7 mt -105.11 174.73 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -86.48 -11.98 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.671 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.1 -40.46 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.972 HD12 HD13 ' B' ' 15' ' ' LEU . 3.7 mt 55.45 164.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.508 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -60.99 150.44 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.95 HD13 ' O ' ' B' ' 20' ' ' LEU . 2.3 tm? -98.18 9.21 43.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -87.48 -21.28 25.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.465 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.9 m-20 -95.42 -36.24 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.734 ' HB ' HD22 ' B' ' 20' ' ' LEU . 2.3 mt -59.12 132.96 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.65 -25.28 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.43 164.07 38.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.538 HG11 HG12 ' B' ' 63' ' ' ILE . 26.1 t -127.95 131.73 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 11.0 tptm -123.72 118.92 28.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.671 HG11 ' CD1' ' A' ' 67' ' ' LEU . 70.5 t -110.22 121.5 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.4 OUTLIER -120.79 81.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.438 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -43.63 167.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -75.03 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.811 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.86 -158.32 7.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 1.51 7.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -112.45 -53.0 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 53.3 t -112.63 119.36 37.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 24.05 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.5 mp0 -129.77 153.7 47.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 6.2 m -77.78 157.37 30.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.68 87.63 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.08 126.2 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.7 mp -124.94 111.98 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.606 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -99.34 129.42 45.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -80.32 145.05 32.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -93.62 150.63 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.19 -4.42 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.34 -9.43 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.84 -12.73 29.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -81.13 -173.7 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -146.23 145.06 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 1.086 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.07 112.24 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -66.39 140.31 58.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.671 HD22 ' HA2' ' B' ' 17' ' ' GLY . 26.4 mt -111.34 164.24 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' HG21 ' B' ' 59' ' ' VAL . 56.7 t30 -97.97 116.75 65.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.479 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.05 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.4 t -110.6 143.6 28.51 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.84 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.62 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -80.81 -19.82 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' B' ' 63' ' ' ILE . 43.3 t -82.08 -4.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -107.75 3.61 24.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -14.88 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD23 ' B' ' 20' ' ' LEU . 15.4 mt -92.81 -16.48 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.795 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.2 mt -94.87 -54.82 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -54.04 -35.09 61.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.11 -36.27 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.833 ' HG2' HD21 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -56.34 -37.38 69.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.754 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.1 mp -68.7 -15.64 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -102.45 -29.16 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.8 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -97.98 164.6 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -4.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 129.77 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.37 -15.87 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -131.35 168.44 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.3 p -153.95 165.53 35.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 53.7 mt -96.31 -179.27 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.52 -14.3 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.91 100.53 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -99.94 163.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.2 t-160 -53.73 136.17 40.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.96 HD11 ' HG2' ' A' ' 66' ' ' MET . 44.4 tp -84.19 9.28 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.57 -15.3 49.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.542 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.9 m-80 -102.59 -42.47 5.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.667 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -54.06 130.94 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -24.99 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.01 164.9 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 HG12 ' A' ' 63' ' ' ILE . 30.2 t -130.47 134.81 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 10.2 tptm -127.98 119.92 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.735 HG11 ' HG ' ' B' ' 67' ' ' LEU . 68.9 t -111.73 113.72 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 82.12 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.95 172.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 165.79 30.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.23 -160.8 8.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.56 -53.03 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.19 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.56 24.08 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -128.41 157.28 41.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 57.9 m -80.27 165.46 22.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -153.8 83.08 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG11 HD11 ' A' ' 63' ' ' ILE . 57.3 t -79.48 126.12 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.46 115.17 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -101.09 135.0 43.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -86.36 139.18 31.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -86.46 150.24 24.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.1 -4.78 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.73 -8.59 25.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.93 -11.85 32.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -81.75 -173.91 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -146.77 145.0 29.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.878 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -130.51 110.04 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -68.1 136.62 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.6 mt -111.56 166.03 11.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 59' ' ' VAL . 64.7 t30 -101.02 121.22 52.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 0.51 8.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.49 11.82 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 35.9 t -108.95 146.74 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.863 ' O ' HD12 ' A' ' 63' ' ' ILE . 39.1 t -71.87 -8.35 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 3.29 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -118.58 -15.77 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 20' ' ' LEU . 14.8 mt -92.18 -16.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.6 mt -93.7 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.37 -35.48 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ASN . 2.6 mtpm? -71.24 -35.22 71.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.96 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -56.7 -41.04 76.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.691 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -66.35 -15.5 63.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.18 -32.47 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LYS . 19.8 t-20 61.4 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.65 167.52 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -2.91 34.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.58 139.37 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.54 -13.86 14.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' HG23 ' B' ' 14' ' ' THR . 10.8 tt0 -132.61 166.15 22.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -151.95 165.06 35.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.453 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.732 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.5 mt -110.17 169.26 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -84.68 -14.7 47.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.686 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 133.59 103.92 0.84 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.58 HD12 ' CB ' ' B' ' 50' ' ' ALA . 8.3 mt -80.73 157.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.408 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -52.57 149.4 5.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' B' ' 66' ' ' MET . 15.2 tp -87.1 10.92 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CE ' ' B' ' 21' ' ' LYS . 0.1 OUTLIER -91.28 -18.74 23.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.418 ' OD1' HD21 ' B' ' 44' ' ' LEU . 5.9 m-80 -102.05 -49.97 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -48.35 131.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 -25.14 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.428 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.9 OUTLIER -155.05 164.73 38.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' B' ' 66' ' ' MET . 24.8 t -125.98 130.27 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 41' ' ' ILE . 13.6 tptt -121.26 120.28 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.691 HG11 HD12 ' A' ' 67' ' ' LEU . 55.5 t -109.66 119.75 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 30' ' ' SER . 5.5 tmtt? -118.69 78.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.442 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -46.46 172.37 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.04 170.18 20.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.93 -158.01 7.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.652 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.1 p-80 -113.52 -56.86 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 123.09 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 108.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.86 24.59 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 26.7 mm-40 -131.0 160.04 35.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 39' ' ' GLU . 84.9 m -86.38 169.46 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -163.98 86.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.661 HG11 HD11 ' B' ' 63' ' ' ILE . 15.1 t -74.72 137.14 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.9 mp -130.09 108.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.1 128.33 40.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -79.59 141.56 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.546 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.51 150.91 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.546 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.69 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.51 -8.95 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.66 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 65.1 mt-30 -84.48 -175.17 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.3 mptt -143.45 144.96 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.732 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.45 109.72 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.93 137.28 57.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.686 HD22 ' HA2' ' B' ' 17' ' ' GLY . 21.6 mt -110.59 164.58 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.461 ' O ' HG21 ' B' ' 59' ' ' VAL . 64.2 t30 -96.06 119.13 65.11 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.74 12.99 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 29.6 t -110.87 143.86 29.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.83 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.754 ' HG2' HD11 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -63.1 -26.2 68.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.769 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.4 t -68.67 -17.35 21.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -96.84 3.67 52.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -116.4 -15.55 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.754 HD11 ' HG2' ' B' ' 58' ' ' MET . 13.8 mt -94.84 -16.46 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.769 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.7 mt -94.86 -53.65 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 44.0 mt-10 -55.91 -34.04 65.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.4 OUTLIER -76.85 -30.47 56.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.709 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.7 mmm -60.82 -36.32 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.735 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.3 mp -70.32 -15.29 62.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -103.67 -32.44 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' LYS . 18.2 t-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.6 161.95 13.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.353 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.61 -1.63 58.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 133.9 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.92 -16.62 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 tt0 -131.59 169.31 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.8 p -153.94 164.85 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.973 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.1 mt -95.06 177.37 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -112.69 -12.85 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.37 99.19 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.585 ' CG1' HD13 ' A' ' 15' ' ' LEU . 4.7 mm -98.95 157.46 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -57.59 139.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.0 tp -86.99 12.29 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -91.64 -20.55 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.482 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.4 m-20 -97.23 -42.54 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.9 mt -55.19 129.97 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.6 -22.11 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.442 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -153.05 163.61 39.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.693 HG23 ' HG3' ' A' ' 66' ' ' MET . 24.5 t -127.93 133.34 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -123.22 123.84 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.724 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.8 t -116.17 119.53 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 89.42 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -52.89 171.6 0.22 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.1 Cg_endo -75.08 162.0 37.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.44 8.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.62 7.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -116.03 -54.73 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.43 123.25 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.32 24.4 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 22.8 mt-30 -130.62 158.94 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 6.2 m -81.21 158.14 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.561 ' OE2' HD11 ' A' ' 41' ' ' ILE . 4.4 tt0 -145.26 95.66 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HD11 ' A' ' 63' ' ' ILE . 62.7 t -90.05 126.21 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.561 HD11 ' OE2' ' A' ' 39' ' ' GLU . 1.6 mp -127.9 109.44 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -97.74 136.42 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.7 m -86.62 142.53 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.86 150.41 21.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.25 33.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.65 -8.91 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.93 -8.44 33.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -84.57 -173.05 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -145.78 144.94 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.973 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.06 110.88 11.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.75 138.26 52.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 108.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.7 mt -112.52 165.63 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 62.5 t30 -100.52 118.98 59.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.455 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.03 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.06 1.35 42.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.5 t -101.31 145.45 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.86 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -26.93 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.787 ' O ' HD12 ' A' ' 63' ' ' ILE . 18.4 t -70.43 -12.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.3 mmmm -98.93 4.04 47.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -116.49 -16.0 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mt -93.86 -16.52 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 59' ' ' VAL . 14.6 mt -93.54 -54.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 56.1 mt-10 -54.7 -35.89 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -71.28 -35.51 71.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.693 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.4 mmm -59.38 -37.88 79.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.13 -15.29 63.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.79 -33.78 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' LYS . 11.8 t30 61.91 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' B' ' 8' ' ' ARG . 1.6 mtp-105 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 60.7 m -98.73 142.15 30.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.84 5.87 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.85 114.63 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -89.96 -25.5 20.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.56 ' O ' HG23 ' B' ' 14' ' ' THR . 2.9 tm0? -135.4 177.31 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.51 159.59 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.92 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 7.4 mt -123.05 152.83 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.8 tm0? -70.02 -15.26 62.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.19 104.63 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.665 HD12 HD13 ' B' ' 15' ' ' LEU . 6.7 mt -93.96 163.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.8 OUTLIER -54.91 126.59 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -55.86 -18.57 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -23.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' B' ' 20' ' ' LEU . 13.4 m-80 -99.81 -48.23 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.03 129.49 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -17.99 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.447 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -157.15 154.88 30.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.96 HG11 HG12 ' B' ' 63' ' ' ILE . 50.7 t -127.39 136.4 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.479 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.29 124.91 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 67' ' ' LEU . 2.4 t -104.81 124.23 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.51 83.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -49.14 170.61 0.13 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 166.29 29.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.97 -159.75 8.03 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.597 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.57 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.597 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.71 -56.03 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 0.1 OUTLIER -108.39 124.31 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.8 24.12 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.427 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.6 mm-40 -126.78 162.32 26.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' B' ' 39' ' ' GLU . 23.8 m -80.37 162.7 24.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' B' ' 38' ' ' THR . 2.4 mp0 -148.85 92.75 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.402 HG22 HG22 ' B' ' 28' ' ' VAL . 95.6 t -90.25 117.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.16 112.74 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.67 137.47 39.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -88.14 140.55 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.507 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -89.29 150.18 22.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.507 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.7 -5.02 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.37 -8.3 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.02 -8.28 36.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -84.66 -173.37 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -144.69 144.76 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.92 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.26 113.16 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 13' ' ' GLN . 7.7 m -68.72 138.09 54.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 mt -106.08 162.77 13.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG21 ' B' ' 59' ' ' VAL . 39.1 t30 -93.12 111.92 53.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 48.13 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.34 31.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -122.4 148.47 52.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.4 18.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 tpp -90.26 -25.96 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.621 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -70.53 -16.2 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -95.54 3.78 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -117.9 -16.69 9.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.81 -16.66 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.96 HG12 HG11 ' B' ' 26' ' ' VAL . 15.9 mt -94.02 -57.15 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.91 -33.38 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -26.49 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.624 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -69.48 -37.59 77.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.724 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.8 mp -72.03 -15.64 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.64 -31.31 9.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 65' ' ' LYS . 16.0 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.5 m -98.62 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.22 -3.51 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 134.79 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.11 -16.26 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' THR . 4.9 tt0 -134.65 170.56 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -154.77 165.14 37.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.974 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 11.0 mt -99.06 176.03 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -100.12 -12.9 19.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.13 97.47 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 13.9 mt -96.05 162.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -49.17 138.26 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 24.7 tp -74.54 -2.75 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -72.59 -7.14 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.697 ' O ' HD23 ' A' ' 44' ' ' LEU . 5.4 m-80 -112.37 -31.68 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.412 ' HB ' HD12 ' A' ' 20' ' ' LEU . 3.0 mt -76.42 129.96 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.94 -22.7 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.9 160.67 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.769 HG11 HG12 ' A' ' 63' ' ' ILE . 79.4 t -134.62 142.4 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -144.29 124.79 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.812 HG11 ' HG ' ' B' ' 67' ' ' LEU . 77.8 t -113.96 127.83 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -122.67 91.1 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -50.31 174.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.3 Cg_endo -74.97 178.18 7.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.22 -161.64 10.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.95 1.5 7.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -114.67 -46.91 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.52 125.25 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.0 24.76 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 20.7 mt-30 -129.75 159.97 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -89.17 163.21 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 41' ' ' ILE . 7.6 pt-20 -154.71 115.34 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 28' ' ' VAL . 88.2 t -106.19 123.49 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' HG3' ' A' ' 39' ' ' GLU . 1.5 mp -120.37 121.78 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.35 140.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -90.53 131.95 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.58 148.87 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.35 -2.41 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.527 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.3 -9.06 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.72 31.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.39 -171.62 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -144.74 144.97 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.974 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.0 113.79 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.28 138.86 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.4 mt -113.26 159.61 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -93.54 121.23 65.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.69 11.91 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -103.64 141.32 22.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.9 7.73 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 tpp -76.58 -25.13 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 63' ' ' ILE . 6.1 t -70.95 -14.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -95.9 3.3 53.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -115.27 -15.27 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 20' ' ' LEU . 12.9 mt -95.72 -16.28 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.769 HG12 HG11 ' A' ' 26' ' ' VAL . 18.2 mt -96.18 -52.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -57.51 -36.24 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.8 ptpt -79.4 -23.27 43.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.511 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.7 OUTLIER -67.17 -33.49 75.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD1' HG11 ' B' ' 28' ' ' VAL . 9.7 mp -72.37 -15.63 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.6 tttt -105.06 -33.16 8.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.8 t30 61.43 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.449 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 80.4 m -87.45 149.1 24.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . 0.476 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.52 -1.61 56.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . 0.466 ' HB2' ' CG ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -144.59 132.67 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -102.62 -16.45 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.633 ' O ' HG23 ' B' ' 14' ' ' THR . 1.8 tp60 -129.14 172.98 10.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.633 HG23 ' O ' ' B' ' 13' ' ' GLN . 8.8 p -158.89 164.95 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.919 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -100.14 178.72 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -112.24 -13.04 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.22 98.77 0.16 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.843 HG13 HD13 ' B' ' 15' ' ' LEU . 3.4 mm -95.06 156.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.419 ' CD2' ' HG3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -56.6 140.22 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 13.5 tp -87.76 12.22 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' B' ' 19' ' ' HIS . 7.5 mttt -95.77 -19.09 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.575 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.9 m-20 -98.34 -45.0 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.586 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.0 OUTLIER -52.76 128.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.68 -24.61 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.4 OUTLIER -147.82 160.55 42.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.953 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.52 HG11 HG12 ' B' ' 63' ' ' ILE . 39.2 t -128.77 133.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -125.65 123.85 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.871 HG11 ' CD1' ' A' ' 67' ' ' LEU . 72.4 t -115.88 114.93 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.06 88.67 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.511 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -53.37 168.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.438 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 158.23 42.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.13 -160.5 8.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.637 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.0 2.77 6.25 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.637 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.1 p-80 -112.43 -46.07 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 1.2 m -127.71 122.61 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.85 23.78 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.9 mm-40 -127.56 148.48 50.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 18.1 m -69.9 160.82 31.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 41' ' ' ILE . 1.6 tt0 -148.12 91.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.666 HG11 HD11 ' B' ' 63' ' ' ILE . 57.6 t -88.46 126.15 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.665 HD11 ' OE2' ' B' ' 39' ' ' GLU . 2.9 mp -130.56 110.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -101.2 133.1 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.0 m -84.07 136.62 33.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.575 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -83.67 150.13 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.524 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.3 -4.15 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.81 -10.57 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.05 -8.97 29.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.93 -172.19 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -144.79 144.6 31.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.919 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.43 111.55 10.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.514 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.52 138.57 49.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' B' ' 59' ' ' VAL . 24.5 mt -111.02 158.52 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.95 118.63 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.84 22.01 16.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 27.4 t -121.13 143.23 36.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.41 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -26.18 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.683 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -72.41 -15.15 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 4.11 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -115.66 -15.88 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.53 -16.41 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.683 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.6 mt -94.8 -54.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -54.84 -35.22 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.9 mttt -73.18 -33.81 65.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.489 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.6 mmm -62.97 -37.89 88.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.812 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -70.71 -15.68 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.73 -27.99 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 7.7 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.0 m -81.91 165.92 20.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -103.22 -4.61 24.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 137.36 25.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.51 -14.63 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 14' ' ' THR . 2.3 tm0? -133.95 173.51 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLN . 19.8 p -156.26 165.75 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.902 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mt -106.99 -178.75 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 9.1 tp60 -88.47 -13.38 40.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.878 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 146.93 -34.7 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 18.8 mm 55.63 164.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.477 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -64.62 138.51 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 66' ' ' MET . 48.2 tp -84.82 8.06 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -86.76 -18.13 31.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.57 ' CG ' HD21 ' A' ' 44' ' ' LEU . 3.3 m-20 -99.49 -44.13 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.3 mt -51.31 128.21 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.93 -21.83 10.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.77 161.17 42.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 63' ' ' ILE . 72.4 t -129.66 142.25 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -137.74 125.52 22.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.863 HG11 ' HG ' ' B' ' 67' ' ' LEU . 86.3 t -114.4 109.56 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 88.31 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 1.1 p -57.29 169.29 0.76 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.948 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 157.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.45 -158.66 7.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.98 0.83 8.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -111.2 -53.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 126.84 54.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 23.64 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 31.9 mm-40 -127.76 154.1 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 m -85.89 165.06 17.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.54 105.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -88.44 125.82 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.44 111.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.64 139.28 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.6 m -88.72 131.02 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.57 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.3 150.21 35.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -74.96 -4.41 38.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.35 -9.65 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 108.42 -2.05 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.59 -171.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 47' ' ' GLY . 2.4 mptt -142.22 144.61 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.902 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -138.51 113.23 9.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.92 141.49 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.878 HD22 ' HA2' ' A' ' 17' ' ' GLY . 11.3 mt -111.52 160.18 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.463 ' O ' HG21 ' A' ' 59' ' ' VAL . 67.3 t30 -91.08 117.37 67.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.55 19.76 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -118.74 142.16 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.41 11.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.762 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 62' ' ' ILE . 9.0 tpp -77.98 -19.69 54.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.0 t -79.26 -12.51 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -97.14 3.87 51.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -118.31 -15.7 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 20' ' ' LEU . 15.6 mt -91.14 -16.78 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 26' ' ' VAL . 17.0 mt -93.41 -57.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -51.87 -36.27 47.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' ASN . 31.1 mmtt -71.33 -35.38 71.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.49 -39.44 80.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.811 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.2 mp -68.97 -15.51 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -102.42 -27.77 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.4 t-20 61.51 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 m -97.9 160.67 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -5.08 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 137.29 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.35 -15.04 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 14' ' ' THR . 5.8 tt0 -135.09 171.25 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -153.17 165.97 33.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.066 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.6 mt -102.61 134.33 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.7 tt0 -98.11 66.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.97 102.08 2.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.81 HG13 HD13 ' B' ' 15' ' ' LEU . 2.6 mm -123.51 158.84 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -65.24 131.54 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.9 HD23 ' CG2' ' B' ' 62' ' ' ILE . 1.2 tm? -89.73 17.15 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -94.83 -24.26 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.498 ' HB3' HD21 ' B' ' 44' ' ' LEU . 4.3 m-20 -93.46 -35.95 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.709 HG12 ' HB1' ' B' ' 42' ' ' ALA . 2.1 mt -56.8 132.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.71 -25.32 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.6 OUTLIER -146.97 165.0 31.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.99 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.843 HG23 ' HE2' ' B' ' 66' ' ' MET . 30.6 t -131.6 136.05 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -129.15 122.34 29.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.811 HG11 ' CD1' ' A' ' 67' ' ' LEU . 5.2 t -114.33 119.24 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 98.65 5.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -58.77 173.5 0.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.03 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.33 -162.31 11.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 1.51 7.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.7 p-80 -113.77 -48.73 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 120.3 38.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.7 24.5 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.6 mm-40 -128.89 154.42 46.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.0 m -80.56 156.0 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -135.0 88.14 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.92 HG11 HD11 ' B' ' 63' ' ' ILE . 58.6 t -86.12 125.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.774 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.1 mm -126.05 154.25 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -142.27 128.16 19.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.443 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.4 m -80.18 140.52 36.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.511 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -88.72 150.05 23.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.58 -4.93 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.07 -8.48 25.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.0 -10.08 34.1 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.94 -173.05 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -145.12 144.65 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 1.066 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.3 110.8 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.755 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -67.91 140.3 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.8 mt -111.32 164.38 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.499 ' H ' HG21 ' B' ' 59' ' ' VAL . 35.8 t30 -101.57 114.78 65.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.69 5.64 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 25.3 t -105.2 142.09 23.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.91 8.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.3 59.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.4 t -71.55 -13.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.66 3.77 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -117.48 -15.46 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.9 ' CG2' HD23 ' B' ' 20' ' ' LEU . 14.1 mt -91.41 -17.34 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.92 HD11 HG11 ' B' ' 40' ' ' VAL . 14.9 mt -92.64 -57.47 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.39 -34.73 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.8 mmtt -73.82 -35.57 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.852 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.9 mmm -62.04 -36.08 80.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.863 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -71.33 -15.72 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.95 -29.21 11.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.1 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.07 168.92 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -4.46 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 127.67 18.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.19 -13.47 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -130.56 171.67 12.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' GLN . 7.7 p -159.74 165.02 33.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.101 HD22 HD11 ' A' ' 18' ' ' ILE . 1.1 mt -112.79 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.01 -15.01 55.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.607 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 132.52 102.16 0.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 1.101 HD11 HD22 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -84.84 163.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -46.66 138.19 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.0 tm? -84.01 7.36 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' CG ' ' A' ' 19' ' ' HIS . 2.0 pttm -87.97 -10.32 50.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' CG ' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -107.14 -38.83 5.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.646 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.2 mt -59.0 130.27 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.74 -25.3 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.13 164.87 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -130.2 134.1 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -124.45 122.02 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' B' ' 67' ' ' LEU . 13.6 t -115.4 119.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.62 86.32 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.483 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.1 OUTLIER -51.84 174.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.96 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' CYS . . . -142.36 -159.47 7.95 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.2 8.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -113.63 -49.82 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -113.31 124.82 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.78 23.71 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -130.44 159.01 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.446 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.5 m -89.49 157.35 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 2.3 pm0 -146.0 72.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 54' ' ' PRO . 32.1 t -64.7 135.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.9 mp -131.47 155.4 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -141.27 133.14 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.4 m -84.4 139.57 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -88.3 150.25 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.82 -4.49 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.94 -7.82 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.77 -8.01 36.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.69 -173.74 4.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -145.04 144.42 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -132.56 112.52 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.34 137.86 46.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD22 ' HA2' ' A' ' 17' ' ' GLY . 10.1 mt -115.22 165.2 13.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.69 HD21 ' HB3' ' A' ' 55' ' ' ALA . 61.3 t30 -99.61 122.81 50.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.03 -5.19 16.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -101.54 21.14 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 t -120.34 143.86 36.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -23.88 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 63' ' ' ILE . 4.4 t -75.84 -14.06 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -97.33 3.47 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -117.49 -15.02 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.737 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.6 mt -93.75 -16.16 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 59' ' ' VAL . 29.1 mt -93.05 -54.57 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.44 -35.62 60.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -37.22 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.767 ' HG2' HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -53.58 -39.94 65.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.52 HD11 HG21 ' B' ' 28' ' ' VAL . 7.2 mp -68.16 -14.61 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -105.32 -18.6 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 19.0 t-20 62.88 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 m -97.38 163.63 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.21 -4.63 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 136.77 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.6 -15.05 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.446 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -136.09 170.92 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.446 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -152.37 165.1 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.957 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 8.8 mt -101.58 -177.54 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.57 -14.64 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.776 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.5 -35.64 1.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.0 mm 55.79 164.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -69.04 137.0 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' B' ' 66' ' ' MET . 9.3 tp -80.28 3.22 21.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.6 OUTLIER -83.63 -15.4 49.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.43 -39.01 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.73 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.2 mt -57.63 138.62 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HB2' ' CA ' ' B' ' 45' ' ' LYS . 0.1 OUTLIER -115.39 -24.73 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.01 161.98 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.643 HG11 HG23 ' B' ' 63' ' ' ILE . 25.1 t -126.52 132.36 70.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -123.05 122.64 38.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.52 HG21 HD11 ' A' ' 67' ' ' LEU . 1.2 t -111.79 117.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 90.34 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -55.19 172.55 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.93 178.38 7.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -161.87 10.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -111.42 -50.53 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.38 122.59 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 24.15 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 34.8 mm-40 -126.92 154.81 43.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 56.0 m -79.46 165.01 23.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 75.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.746 ' O ' HD13 ' B' ' 41' ' ' ILE . 42.8 t -76.92 124.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.783 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.88 160.01 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.541 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -147.75 126.51 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -76.98 133.31 39.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -80.3 149.76 30.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.94 -1.97 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.22 -9.56 22.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 1.31 34.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 38.4 mt-30 -96.25 -171.21 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -142.56 147.28 35.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.47 111.85 10.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.783 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.26 140.08 54.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 108.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.776 HD22 ' HA2' ' B' ' 17' ' ' GLY . 17.5 mt -113.07 162.26 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG11 ' B' ' 59' ' ' VAL . 66.4 t30 -94.58 117.55 66.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.486 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.9 7.49 30.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -106.44 145.59 31.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.551 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.48 -19.47 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.755 ' O ' HD12 ' B' ' 63' ' ' ILE . 7.0 t -80.07 -9.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.27 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 -15.53 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD13 ' B' ' 20' ' ' LEU . 20.0 mt -90.99 -16.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.755 HD12 ' O ' ' B' ' 59' ' ' VAL . 22.9 mt -94.45 -56.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -54.07 -35.2 61.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 72.0 mttt -72.02 -33.43 68.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.789 ' HG2' HD11 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -61.41 -38.62 87.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.804 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.16 -15.5 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -29.92 11.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 22.6 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 m -94.72 164.87 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 108.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -101.09 -5.82 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 135.25 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.26 -18.3 15.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' THR . 5.3 tp60 -132.14 168.56 17.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -153.5 165.17 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.001 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.5 mt -91.12 178.53 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -111.69 -13.17 13.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 98.83 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 18' ' ' ILE . 4.9 mm -97.45 158.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-80 -57.98 148.75 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.688 HD11 ' HG2' ' A' ' 66' ' ' MET . 6.6 tp -90.57 19.29 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -9.5 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 44' ' ' LEU . 2.9 m-20 -108.55 -33.57 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.792 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -67.14 125.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -104.71 -25.59 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -152.21 161.5 42.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 63' ' ' ILE . 23.9 t -127.57 129.28 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 17.5 tptp -120.01 120.89 37.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.891 HG11 ' CD1' ' B' ' 67' ' ' LEU . 47.4 t -109.83 116.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 92.87 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -59.71 171.23 0.87 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.96 19.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.13 -161.36 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -113.4 -50.29 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.48 117.13 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.68 23.97 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 13.1 mm-40 -127.17 148.05 50.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.9 m -77.7 155.29 31.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -134.98 79.12 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.581 ' C ' HD13 ' A' ' 41' ' ' ILE . 99.2 t -76.74 118.56 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.68 HD12 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -120.33 154.79 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.792 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -144.13 134.72 24.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.9 m -80.09 143.08 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -94.45 154.27 17.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -74.34 -6.08 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.43 -9.77 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.97 -12.84 31.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 50.8 mt-30 -83.04 -171.21 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -142.86 144.97 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.001 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -126.25 112.16 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.78 137.03 56.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' HG12 ' A' ' 40' ' ' VAL . 11.0 mt -111.02 156.45 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -90.78 119.1 69.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.02 -1.74 11.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.11 7.32 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 t -106.28 141.23 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -23.67 66.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.693 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.6 t -75.3 -3.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -104.25 3.44 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -15.98 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 20.0 mt -91.29 -16.73 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 26' ' ' VAL . 43.4 mt -93.32 -56.42 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.92 -36.87 60.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HB3' HD22 ' A' ' 20' ' ' LEU . 9.1 mttt -70.41 -35.65 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.724 ' HG3' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -59.9 -39.47 85.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 28' ' ' VAL . 7.9 mp -68.51 -15.67 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -102.1 -27.84 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.0 t-20 61.76 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.6 m -101.09 169.52 8.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.02 -2.37 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 134.96 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -103.23 -15.02 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.559 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -131.05 171.76 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.559 HG23 ' O ' ' B' ' 13' ' ' GLN . 2.0 p -155.85 165.41 36.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.985 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.6 mt -108.12 132.92 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -64.92 -11.9 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.64 98.76 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.2 mm -94.36 162.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.471 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -54.63 136.75 45.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 1.013 HD11 ' HG2' ' B' ' 66' ' ' MET . 37.4 tp -86.26 10.57 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.38 -11.6 51.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.7 m-80 -108.09 -39.21 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.659 ' HB ' HD12 ' B' ' 20' ' ' LEU . 1.6 mt -56.66 130.08 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -22.26 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.72 165.05 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.957 HG11 HG12 ' B' ' 63' ' ' ILE . 53.5 t -133.54 138.17 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -133.11 126.95 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 67' ' ' LEU . 69.9 t -115.87 112.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 84.51 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.418 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -45.34 165.16 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.02 165.48 31.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.44 -159.85 8.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -113.26 -48.55 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 124.32 51.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.4 24.41 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.8 mm-40 -130.35 152.07 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 47.5 m -72.56 165.08 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.65 91.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.455 HG22 HG22 ' B' ' 28' ' ' VAL . 92.8 t -90.41 119.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.37 110.49 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.57 146.58 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -94.32 133.48 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -79.71 150.59 30.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.522 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.72 -3.24 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.78 -9.72 22.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.51 -7.76 30.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -86.31 -171.34 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -144.51 144.68 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.985 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -132.45 112.25 11.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.82 140.06 49.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.274 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.543 ' HB3' HG22 ' B' ' 59' ' ' VAL . 26.6 mt -110.19 165.08 12.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.86 ' O ' HG21 ' B' ' 59' ' ' VAL . 50.0 t30 -100.34 118.28 61.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.63 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -105.84 16.39 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 8.9 t -117.12 142.06 29.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.78 15.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -19.66 57.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.86 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -71.52 -18.31 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.63 3.55 55.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -117.35 -15.8 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.647 HG23 HD13 ' B' ' 20' ' ' LEU . 15.0 mt -91.65 -16.83 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.957 HG12 HG11 ' B' ' 26' ' ' VAL . 32.6 mt -91.59 -57.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.57 -36.71 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.7 OUTLIER -70.07 -36.31 74.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 1.013 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.3 mmm -61.7 -40.8 96.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.891 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.29 -15.55 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.01 13.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.37 157.82 37.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -6.0 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.62 128.64 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.47 -21.2 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -128.8 172.22 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -158.5 165.32 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.964 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.8 mt -95.59 174.4 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -106.72 -13.29 15.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 146.23 95.36 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.785 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -88.76 162.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.462 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -58.06 139.03 55.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' HG2' ' A' ' 66' ' ' MET . 15.9 tp -82.79 6.01 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -94.02 -16.77 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.1 m-20 -97.26 -42.29 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -59.4 132.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -24.46 9.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.94 161.14 42.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 66' ' ' MET . 28.7 t -129.95 132.59 65.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -123.21 122.07 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.964 HG11 ' CD1' ' B' ' 67' ' ' LEU . 54.4 t -111.75 115.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.53 94.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -55.25 175.66 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 179.23 6.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.41 -159.85 8.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.96 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.696 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -114.73 -54.25 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 52.7 t -106.0 118.08 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 23.89 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.7 mp0 -133.41 155.55 49.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 63.4 m -77.06 163.04 27.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 11' ' ' CYS . 61.7 mm-40 -144.65 78.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG11 HD11 ' A' ' 63' ' ' ILE . 54.2 t -74.98 127.54 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.764 HD12 ' SG ' ' A' ' 51' ' ' CYS . 1.4 mm -126.05 160.15 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -149.14 129.83 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -82.06 128.15 33.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -74.76 148.9 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.13 -3.21 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -98.8 -10.08 23.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.68 -9.48 30.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 24.1 mt-30 -86.4 -172.58 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 1.4 mttt -140.64 149.3 42.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.964 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.92 112.61 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.764 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -72.01 137.82 47.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.9 158.31 19.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.527 HD21 ' HB3' ' A' ' 55' ' ' ALA . 57.7 t30 -98.85 121.34 56.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.97 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -107.02 18.91 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 t -117.24 142.64 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.88 7.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -25.66 53.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' A' ' 63' ' ' ILE . 20.9 t -71.86 -10.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -101.13 3.66 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -117.45 -16.19 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.9 mt -91.6 -16.84 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HG11 ' A' ' 40' ' ' VAL . 15.9 mt -93.98 -56.16 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.4 -35.1 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mtpt -71.69 -33.91 69.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.691 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tmm? -61.11 -38.62 86.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 63' ' ' ILE . 7.8 mp -69.73 -15.55 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.7 mmtt -102.78 -27.14 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . 28.0 t-20 62.12 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 30.1 m -97.2 156.44 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.79 -3.56 58.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 126.62 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.5 -18.02 27.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 14' ' ' THR . 5.7 tt0 -135.13 173.55 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 13' ' ' GLN . 3.8 p -157.41 165.18 36.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.753 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 24.5 mt -104.9 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 10.8 tt0 -98.91 -8.18 26.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.705 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 125.02 100.97 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.4 mt -86.27 160.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.3 OUTLIER -52.55 141.93 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.705 HD13 ' HG2' ' B' ' 66' ' ' MET . 11.9 tp -78.55 0.44 26.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -78.96 -15.56 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.7 -55.79 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.99 129.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -19.16 13.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.32 157.7 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.939 HG11 HG12 ' B' ' 63' ' ' ILE . 42.4 t -130.87 135.56 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.498 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.43 127.13 38.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 40' ' ' VAL . 14.0 t -113.25 121.71 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.01 87.26 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.529 ' HB2' ' HE1' ' A' ' 66' ' ' MET . 0.5 OUTLIER -45.65 170.36 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.98 176.37 10.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -162.33 10.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -112.37 -49.69 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 120.07 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.89 24.31 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 23.1 mm-40 -125.77 154.88 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 16.7 m -80.18 160.54 25.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 109.85 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 28' ' ' VAL . 77.6 t -106.97 117.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.97 115.82 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.85 146.67 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -95.34 131.38 41.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.485 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -76.71 150.03 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.485 ' H ' HD23 ' B' ' 44' ' ' LEU . 5.3 tppt? -74.66 -4.46 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.21 -8.86 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.62 -8.02 32.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 45.1 mt-30 -85.9 -172.35 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.258 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.0 OUTLIER -142.29 145.04 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.753 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.41 113.51 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.62 139.66 42.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 108.265 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.705 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.1 mt -110.21 165.27 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.895 ' O ' HG21 ' B' ' 59' ' ' VAL . 59.4 t30 -96.33 121.09 61.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.5 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.75 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.69 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -109.17 21.1 17.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 9.5 t -118.28 144.06 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -20.86 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.895 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.31 -19.72 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.1 OUTLIER -94.32 3.52 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.19 -16.15 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.447 HD11 ' HA3' ' B' ' 17' ' ' GLY . 16.7 mt -91.45 -16.87 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.939 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -92.18 -57.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.65 -35.41 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' B' ' 69' ' ' ASN . 5.0 mmtt -75.88 -29.41 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.705 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.8 mmm -69.65 -36.89 76.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.964 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -74.34 -15.32 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -105.82 -19.97 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.7 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.5 m -94.91 142.71 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -4.47 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 128.4 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.08 -17.91 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -128.02 173.24 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.0 p -159.44 165.27 33.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 HG13 ' A' ' 18' ' ' ILE . 9.1 mt -110.82 137.75 48.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -68.31 -13.91 62.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.07 100.25 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.84 HG13 HD13 ' A' ' 15' ' ' LEU . 3.4 mm -93.56 159.21 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.42 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.88 132.8 32.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 62' ' ' ILE . 1.5 tm? -87.51 12.8 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -91.71 -19.76 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.536 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 m-20 -98.35 -36.88 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.697 ' HB ' HD22 ' A' ' 20' ' ' LEU . 2.1 mt -55.44 131.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -24.7 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.75 163.71 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.517 HG11 HG12 ' A' ' 63' ' ' ILE . 33.0 t -130.32 132.93 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ILE . 20.0 tptt -129.46 121.54 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.751 HG11 ' CD1' ' B' ' 67' ' ' LEU . 9.7 t -115.73 120.94 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -122.26 87.33 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -47.02 175.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.5 Cg_endo -75.0 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.14 -157.41 7.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.93 0.92 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -116.69 -58.73 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.6 t -100.47 115.12 29.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' H ' ' NE2' ' A' ' 37' ' ' GLN . . . -92.58 24.71 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.462 ' NE2' ' H ' ' A' ' 36' ' ' ALA . 2.9 mp0 -136.33 152.45 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 20.9 m -74.26 163.96 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.1 77.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.25 132.44 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 2.0 mp -129.45 118.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -105.76 134.54 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -83.51 140.74 32.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.56 150.21 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.59 -4.71 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.04 -7.8 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.71 -10.57 35.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -81.4 -172.74 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -145.38 144.67 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.784 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.06 110.65 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.13 140.38 48.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 59' ' ' VAL . 39.6 mt -106.37 166.34 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.803 ' O ' HG21 ' A' ' 59' ' ' VAL . 41.4 t30 -96.03 110.18 50.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.98 46.4 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.99 27.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 31.0 t -127.26 146.74 59.2 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.86 10.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.773 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.517 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -99.37 -21.38 16.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.803 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.6 t -73.31 -22.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -94.33 3.49 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -116.33 -16.21 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 20' ' ' LEU . 11.8 mt -94.15 -15.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.8 mt -94.14 -55.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 73.2 mt-10 -51.38 -34.55 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -76.54 -34.45 58.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.86 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -59.05 -36.27 74.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.961 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.89 -15.3 63.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpt -104.05 -31.28 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t30 61.27 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.484 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 78.4 m -102.22 164.64 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -4.78 27.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 137.41 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -103.7 -15.03 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.414 ' O ' HG23 ' B' ' 14' ' ' THR . 13.2 tt0 -135.19 168.21 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 0.9 OUTLIER -151.57 164.89 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.912 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.5 mt -96.79 -175.3 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -106.26 -13.26 15.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.32 98.8 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.546 HD12 HD13 ' B' ' 15' ' ' LEU . 7.9 mt -91.47 163.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -52.52 139.16 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.6 tm? -87.75 12.75 12.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.2 OUTLIER -92.2 -24.02 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.431 ' HB3' HD21 ' B' ' 44' ' ' LEU . 3.5 m-80 -92.68 -33.57 14.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.797 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -59.93 133.75 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -113.34 -23.41 9.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.2 165.46 33.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.544 HG11 HG12 ' B' ' 63' ' ' ILE . 29.7 t -131.19 140.49 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CE ' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tptt -133.57 123.22 24.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.961 HG11 ' CD1' ' A' ' 67' ' ' LEU . 15.3 t -116.94 103.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 92.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.492 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -61.77 171.46 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.99 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.35 -158.79 17.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.23 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.73 121.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.18 24.17 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.3 mt-30 -129.93 159.5 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 36.6 m -86.61 164.48 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' CB ' ' B' ' 9' ' ' CYS . 0.5 OUTLIER -147.3 74.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.693 ' O ' HD13 ' B' ' 41' ' ' ILE . 57.2 t -72.71 123.75 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.76 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -125.82 151.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.797 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -138.68 126.3 22.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.0 m -79.3 141.13 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.562 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -90.37 151.42 21.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.562 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.29 -4.78 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.12 -8.59 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.74 -10.11 34.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -82.92 -174.18 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -146.12 144.62 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.912 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -129.63 110.74 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.76 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.86 137.0 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.575 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.4 mt -110.96 161.49 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.542 HD21 ' HB3' ' B' ' 55' ' ' ALA . 63.1 t30 -93.75 121.37 64.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.493 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 -3.97 14.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -102.65 16.37 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -114.03 141.24 25.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.02 9.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -24.83 60.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.724 ' O ' HD12 ' B' ' 63' ' ' ILE . 3.7 t -73.64 -13.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.48 ' HE3' HD23 ' A' ' 67' ' ' LEU . 6.5 mmmm -98.21 2.84 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -117.42 -15.47 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.828 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.4 mt -92.22 -16.51 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.724 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.6 mt -93.55 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -52.74 -35.78 56.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 69' ' ' ASN . 45.2 mttt -71.32 -35.67 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.805 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.2 mmm -60.21 -38.9 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.751 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.99 -15.53 63.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.29 -23.86 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 65' ' ' LYS . 17.5 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.53 156.41 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 108.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -91.75 -4.7 54.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.99 120.96 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.64 -14.79 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -126.61 172.64 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -160.86 165.85 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.037 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.8 mt -110.24 150.45 28.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.3 tm0? -81.94 -15.03 55.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.38 101.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -97.48 155.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 139.29 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 66' ' ' MET . 41.7 tp -86.6 11.57 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -91.26 -19.67 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.539 ' CG ' HD21 ' A' ' 44' ' ' LEU . 5.2 m-20 -96.75 -42.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.81 128.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -19.29 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.13 159.45 41.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 66' ' ' MET . 39.7 t -129.92 135.53 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -134.02 127.37 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.89 HG11 ' HG ' ' B' ' 67' ' ' LEU . 72.1 t -116.52 108.89 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 86.42 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.09 170.48 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 162.6 36.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.09 -156.87 7.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.697 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.89 -0.65 10.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.697 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.7 OUTLIER -117.28 -52.99 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.645 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.05 122.05 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.59 24.34 9.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 5.8 mp0 -140.46 157.24 45.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.482 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 75.9 m -70.53 165.27 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 69.4 mm-40 -153.19 76.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 63' ' ' ILE . 58.1 t -70.65 126.3 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.7 mp -129.65 105.8 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.56 139.47 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -87.34 132.21 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -78.81 150.0 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.37 -4.0 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.46 -9.63 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.54 -10.35 30.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -85.23 -172.18 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 147.36 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.037 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.52 113.38 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.535 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.39 140.21 46.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 108.27 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 59' ' ' VAL . 32.1 mt -106.73 160.44 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' HG11 ' A' ' 59' ' ' VAL . 41.4 t30 -88.67 112.94 53.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.482 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.96 49.09 2.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -123.2 149.66 58.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.81 8.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.631 ' HG3' HD11 ' A' ' 62' ' ' ILE . 24.5 tpp -83.05 -24.41 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.774 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 t -69.76 -16.13 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 4.26 44.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -117.97 -15.87 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 58' ' ' MET . 19.0 mt -93.24 -16.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.1 mt -93.94 -56.14 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -52.23 -36.76 53.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -69.6 -36.94 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.901 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -57.25 -41.47 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.697 HD12 HG11 ' B' ' 28' ' ' VAL . 7.4 mp -66.73 -15.93 63.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -101.07 -30.52 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.4 t30 61.82 -78.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.05 164.09 26.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -5.55 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 135.22 24.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.64 -15.13 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -134.64 165.23 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -151.37 165.28 34.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -106.4 147.27 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.03 -12.17 60.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.19 103.25 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.786 HD12 HD13 ' B' ' 15' ' ' LEU . 11.3 mt -82.72 161.01 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.457 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 2.2 t-160 -53.09 148.49 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' B' ' 66' ' ' MET . 8.5 tp -88.43 13.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.42 -4.39 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -114.86 -39.35 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.777 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -60.33 129.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.14 -25.06 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.428 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.1 OUTLIER -152.62 163.02 40.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.773 HG11 HG12 ' B' ' 63' ' ' ILE . 68.4 t -128.41 139.3 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 10.1 tptm -131.51 120.44 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 67' ' ' LEU . 14.0 t -111.39 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -113.92 79.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.425 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -44.52 169.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.3 Cg_endo -74.99 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -158.11 8.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.52 7.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -114.12 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 42.3 t -111.81 120.95 43.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.8 24.44 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.5 mm-40 -133.35 152.74 51.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -76.7 159.54 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -146.35 83.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.54 128.26 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.5 mt -124.51 109.02 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.777 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -96.92 128.18 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 19.9 m -79.6 140.94 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.555 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.18 151.06 21.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.555 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.87 -5.17 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.84 -8.61 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.442 ' O ' ' CE ' ' B' ' 49' ' ' LYS . . . 107.98 -9.65 36.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 64.9 mt-30 -84.25 -175.19 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' B' ' 47' ' ' GLY . 0.0 OUTLIER -143.47 144.3 31.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 1.042 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.59 111.53 10.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -62.81 138.02 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.506 ' CD1' ' HB2' ' B' ' 42' ' ' ALA . 22.9 mt -110.92 158.5 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.529 ' O ' HG21 ' B' ' 59' ' ' VAL . 65.9 t30 -91.46 117.55 67.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.465 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.97 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.4 27.37 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -122.74 144.81 43.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.05 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -25.29 60.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.71 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.6 t -74.15 -6.19 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -101.27 3.33 40.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -119.05 -15.72 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.47 -16.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.773 HG12 HG11 ' B' ' 26' ' ' VAL . 15.0 mt -95.62 -56.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -54.99 -32.44 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' B' ' 20' ' ' LEU . 23.9 mmtp -76.04 -32.57 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.617 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.4 mmm -65.69 -36.3 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.89 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -72.07 -15.46 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -29.51 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' LYS . 10.7 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 69.5 m -77.37 141.45 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -79.67 0.04 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.2 114.58 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.06 -26.05 29.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' THR . 2.1 tm0? -136.17 169.31 17.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -155.07 159.07 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.462 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.765 HD12 ' CD1' ' A' ' 18' ' ' ILE . 11.8 mt -114.67 172.25 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -116.08 70.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 86.49 101.39 0.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.765 ' CD1' HD12 ' A' ' 15' ' ' LEU . 94.3 mt -101.83 153.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.505 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -62.39 138.72 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.7 tp -88.93 16.87 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -96.7 -18.36 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.3 m-80 -104.64 -42.86 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.6 mt -54.5 129.38 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.15 -21.93 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -151.57 160.0 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 63' ' ' ILE . 31.8 t -128.69 133.83 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -126.69 123.71 38.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG21 HD11 ' B' ' 67' ' ' LEU . 0.4 OUTLIER -112.72 121.09 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.06 95.22 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.535 ' H ' ' HE1' ' B' ' 66' ' ' MET . 0.1 OUTLIER -52.85 175.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -75.06 174.11 13.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.5 -161.53 9.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -111.04 -51.2 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -116.46 124.49 50.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.05 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.4 mt-30 -127.97 160.07 33.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.521 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 26.4 m -76.2 162.0 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -146.48 92.27 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 63' ' ' ILE . 89.1 t -89.15 127.3 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.8 113.91 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.17 138.0 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 16.0 m -86.97 141.48 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -89.31 149.57 22.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.77 -4.7 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.49 -8.72 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.21 0.23 38.15 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 31.5 mt-30 -94.86 -171.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 3.9 mptt -143.45 145.96 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 18' ' ' ILE . . . -130.65 110.9 11.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 8.1 m -68.11 134.8 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 18' ' ' ILE . 29.1 mt -110.68 163.81 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.562 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 30.9 t30 -100.71 122.39 49.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.02 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.562 ' HB3' ' ND2' ' A' ' 53' ' ' ASN . . . -99.43 12.0 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -108.29 142.26 24.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.35 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tpp -68.99 -25.87 64.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 63' ' ' ILE . 14.1 t -70.36 -10.34 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.92 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -116.83 -15.75 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' HA2' ' A' ' 17' ' ' GLY . 13.5 mt -93.88 -16.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.7 mt -94.12 -53.63 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.77 -34.73 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.5 mttm -74.18 -30.88 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.483 ' HG2' HD13 ' A' ' 20' ' ' LEU . 1.3 mmm -61.86 -37.39 84.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' B' ' 28' ' ' VAL . 9.0 mp -70.01 -15.41 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.1 ttpp -103.29 -30.21 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.1 t30 61.97 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.093 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 16.8 m -98.95 163.84 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -3.37 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 125.88 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -91.02 -16.66 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 14' ' ' THR . 0.1 OUTLIER -134.67 172.04 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 13' ' ' GLN . 11.5 p -154.97 165.6 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.886 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.7 mt -101.74 170.52 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.431 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.6 tm0? -92.55 -10.1 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.442 ' CA ' ' CD1' ' B' ' 62' ' ' ILE . . . 126.06 101.64 1.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.851 HD12 HD13 ' B' ' 15' ' ' LEU . 4.0 mt -88.89 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -52.02 146.89 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.875 HD23 HG23 ' B' ' 62' ' ' ILE . 0.2 OUTLIER -89.23 16.47 7.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 9.7 tppt? -98.23 -5.59 32.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.56 -50.26 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.4 135.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -25.56 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.72 154.62 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.937 HG11 HG12 ' B' ' 63' ' ' ILE . 41.8 t -129.56 132.92 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.35 125.0 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 67' ' ' LEU . 73.1 t -112.55 121.04 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 92.58 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -51.06 173.78 0.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.01 175.97 10.53 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.4 -161.77 9.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.62 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.62 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.47 -52.32 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.07 122.47 47.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.6 23.68 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.419 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 7.4 mt-30 -127.36 159.72 33.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.5 m -85.34 157.1 20.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.79 102.18 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.5 t -97.08 121.33 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.18 117.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.53 144.84 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 17.4 m -93.83 131.26 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -76.63 148.44 36.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.96 -3.79 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.638 ' HB3' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -99.13 -8.86 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.68 -3.92 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.409 ' OE1' ' ND2' ' B' ' 46' ' ' ASN . 52.0 mt-30 -89.51 -172.08 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 147.98 35.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -141.03 117.52 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.679 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -78.99 141.92 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.277 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.2 mt -113.39 165.11 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.609 ' O ' HG21 ' B' ' 59' ' ' VAL . 60.7 t30 -98.57 119.87 60.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.47 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -2.81 13.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.482 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -106.53 19.86 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 17.5 t -114.05 144.01 30.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -32.4 5.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 tpp -72.46 -24.68 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.609 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.3 t -70.13 -11.98 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.7 3.36 55.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.16 -15.1 9.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.875 HG23 HD23 ' B' ' 20' ' ' LEU . 18.4 mt -90.62 -16.92 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.937 HG12 HG11 ' B' ' 26' ' ' VAL . 15.8 mt -94.64 -56.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -54.09 -35.51 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 69' ' ' ASN . 39.9 mttt -71.16 -33.72 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.692 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.2 tmm? -60.57 -43.14 97.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 28' ' ' VAL . 6.8 mp -66.73 -15.52 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -101.52 -28.11 12.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 65' ' ' LYS . 15.7 t30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.6 m -93.68 150.78 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -5.58 47.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.43 129.77 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -91.66 -19.2 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -135.05 172.21 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' GLN . 16.2 p -156.52 165.32 36.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.693 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mt -96.79 172.14 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 12.1 tt0 -101.75 -7.5 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.1 97.64 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.637 HG13 HD13 ' A' ' 15' ' ' LEU . 6.5 mm -88.05 154.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -49.49 137.4 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.575 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 66' ' ' MET . 55.2 tp -81.93 4.56 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -87.69 -15.54 36.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.599 ' CG ' HD21 ' A' ' 44' ' ' LEU . 8.4 m-20 -101.02 -49.86 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.573 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -51.69 127.49 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 -18.69 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.434 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -152.8 161.32 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.668 HG23 ' HG3' ' A' ' 66' ' ' MET . 55.2 t -132.01 142.51 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -141.23 127.21 19.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.954 HG11 HD12 ' B' ' 67' ' ' LEU . 18.9 t -115.36 115.27 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.09 88.02 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.474 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -48.13 172.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.54 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.04 1.84 7.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.8 p-80 -117.17 -56.31 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 45.0 t -102.33 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.29 24.6 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 37.6 mm-40 -135.9 160.51 38.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 30' ' ' SER . 2.7 m -89.07 155.11 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -144.35 89.43 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.791 ' C ' HD13 ' A' ' 41' ' ' ILE . 92.1 t -77.31 122.73 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' SG ' ' A' ' 51' ' ' CYS . 2.4 mm -118.95 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -118.61 139.33 51.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -90.29 135.94 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.58 150.73 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.37 -4.2 34.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.16 -9.44 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.52 -7.22 31.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.36 -171.79 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -145.04 144.85 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -129.88 111.73 12.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.847 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.3 m -69.6 135.57 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -114.33 165.98 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.653 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 50.6 t30 -108.37 120.92 45.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' ND2' ' A' ' 53' ' ' ASN . . . -98.35 1.08 46.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -103.21 145.32 30.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.438 ' HG3' HD11 ' A' ' 62' ' ' ILE . 30.6 tpp -59.92 -25.81 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.691 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.9 t -72.05 -14.71 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -95.83 4.11 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -116.22 -15.23 11.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HG3' ' A' ' 58' ' ' MET . 13.6 mt -94.75 -16.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 40' ' ' VAL . 16.6 mt -94.01 -53.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 70.4 mt-10 -55.8 -35.67 66.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 4.7 mttm -72.13 -33.76 68.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.668 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.1 mmm -60.45 -38.21 83.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.745 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -68.98 -15.61 63.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -102.7 -31.48 10.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.9 t-20 61.52 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.84 164.99 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.86 8.02 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -87.36 -25.98 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.613 ' O ' HG23 ' B' ' 14' ' ' THR . 2.7 tt0 -135.91 178.95 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.613 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -157.18 160.57 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.016 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.6 mt -110.69 -161.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 16.5 tt0 -112.65 0.59 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.626 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 136.62 -39.7 1.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.597 HG13 HD13 ' B' ' 15' ' ' LEU . 2.7 mm 55.88 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -63.78 146.05 54.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.843 ' HB2' HG23 ' B' ' 62' ' ' ILE . 12.1 tp -91.37 8.97 33.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.84 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.43 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.4 m-20 -97.69 -39.34 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.622 HG12 ' HB1' ' B' ' 42' ' ' ALA . 3.1 mt -57.58 129.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.34 -25.49 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 163.44 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 63' ' ' ILE . 46.9 t -126.45 137.3 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 7.8 tptm -126.27 118.46 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 67' ' ' LEU . 4.0 t -110.88 114.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.2 OUTLIER -117.69 83.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.9 OUTLIER -46.91 174.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.441 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.06 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.72 -158.15 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.79 7.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.26 -55.64 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.639 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.77 124.96 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.54 24.06 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.4 mp0 -132.02 157.61 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.409 ' C ' ' OE1' ' B' ' 39' ' ' GLU . 25.6 m -83.49 162.97 20.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' B' ' 38' ' ' THR . 2.0 pm0 -156.22 87.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 23.0 t -78.24 133.63 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.1 mp -125.67 110.01 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.622 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.64 129.49 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -82.49 141.95 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.572 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -92.33 151.53 20.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.572 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.89 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.05 -8.78 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.06 -10.82 34.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -82.54 -173.04 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -145.51 143.95 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 1.016 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -128.27 110.68 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' B' ' 15' ' ' LEU . 7.6 m -63.32 134.96 56.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.626 HD22 ' HA2' ' B' ' 17' ' ' GLY . 23.2 mt -110.9 165.86 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.448 ' H ' HG21 ' B' ' 59' ' ' VAL . 29.2 t30 -97.95 109.45 51.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' B' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 47.69 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.59 29.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -123.7 147.88 54.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . 0.47 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 18.2 Cg_endo -75.04 -13.57 21.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.639 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -96.97 -22.68 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.7 t -85.35 -4.49 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -108.18 2.51 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' HD2' ' B' ' 60' ' ' LYS . 8.2 mttp -115.0 -17.73 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' B' ' 20' ' ' LEU . 13.5 mt -89.88 -18.03 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 59' ' ' VAL . 41.9 mt -89.76 -59.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -48.72 -37.84 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.87 -38.02 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -57.3 -38.58 74.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.954 HD12 HG11 ' A' ' 28' ' ' VAL . 4.7 mp -68.42 -15.92 63.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.0 OUTLIER -101.42 -28.3 12.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' B' ' 68' ' ' LYS . 16.7 t30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 m -95.48 162.46 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -94.38 -4.64 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -141.19 126.62 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -98.4 -14.03 20.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' THR . 9.9 tt0 -132.43 168.62 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.1 p -153.38 165.11 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.966 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.6 mt -109.72 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.09 -14.86 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.971 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 138.47 -31.07 2.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.931 HD12 HD13 ' A' ' 15' ' ' LEU . 10.2 mt 55.85 164.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -54.38 137.64 41.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -86.6 11.64 12.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 7.8 mttm -90.93 -23.13 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -93.68 -34.34 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.714 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.6 mt -57.77 134.19 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -25.51 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.427 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -152.51 161.92 41.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 47.3 t -129.41 137.94 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 126.82 27.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.899 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.8 t -120.6 117.95 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 100.75 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -59.15 170.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.92 -158.54 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -118.43 -56.87 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 44.8 t -100.18 113.59 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 108.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 24.27 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.4 mp0 -131.51 157.44 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.3 m -78.73 160.74 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -146.31 102.05 3.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 63' ' ' ILE . 98.6 t -100.9 122.32 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' CD ' ' A' ' 39' ' ' GLU . 1.1 mp -124.73 107.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -95.62 133.13 40.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.7 m -82.02 141.46 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.32 150.77 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.544 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.46 -3.67 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.4 -8.19 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.57 -2.94 36.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 52.6 mt-30 -90.68 -173.79 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -145.03 144.41 30.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.966 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.48 113.66 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.62 140.23 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.971 HD22 ' HA2' ' A' ' 17' ' ' GLY . 16.4 mt -112.46 165.38 12.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.491 ' O ' HG11 ' A' ' 59' ' ' VAL . 59.2 t30 -100.77 116.45 64.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.94 2.0 7.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.23 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.446 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 11.6 t -118.07 141.72 29.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.64 11.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -84.16 -17.5 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.711 ' O ' HD12 ' A' ' 63' ' ' ILE . 25.5 t -81.02 -13.25 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -99.75 3.92 45.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -117.75 -15.66 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.812 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.3 mt -92.78 -17.26 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 59' ' ' VAL . 19.7 mt -92.55 -56.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -51.21 -36.76 43.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -73.24 -34.32 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.873 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.1 tmm? -58.55 -40.2 82.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.0 mp -67.12 -16.06 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -101.78 -29.97 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' LYS . 13.9 t-20 61.18 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' B' ' 39' ' ' GLU . 34.0 m -99.9 169.35 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -3.43 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.5 138.06 30.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.08 -14.14 15.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' THR . 6.5 tt0 -130.93 166.31 21.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.4 p -152.36 165.31 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.106 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.1 mt -103.71 157.88 16.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.6 tt0 -114.58 71.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' B' ' 62' ' ' ILE . . . 84.34 99.39 0.62 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.907 HG13 HD13 ' B' ' 15' ' ' LEU . 6.5 mm -112.42 157.6 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.409 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -58.34 131.63 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 11.7 tp -88.03 14.4 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -100.23 -8.86 23.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' B' ' 45' ' ' LYS . 1.8 m-20 -110.46 -27.47 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.899 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.7 OUTLIER -67.09 128.09 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -100.56 -24.6 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -165.42 165.57 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.993 HG11 HG12 ' B' ' 63' ' ' ILE . 44.3 t -125.53 136.47 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 9.8 tptm -125.41 120.69 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.544 HG11 ' CD1' ' A' ' 67' ' ' LEU . 59.8 t -107.19 117.55 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 81.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -47.96 163.1 0.3 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 161.21 39.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.04 -158.81 9.35 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.593 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.72 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.593 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -110.97 -54.26 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -110.92 121.26 44.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.339 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.71 23.67 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.44 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.0 OUTLIER -127.6 151.29 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' B' ' 54' ' ' PRO . 23.5 m -78.0 161.77 27.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' SG ' ' B' ' 9' ' ' CYS . 1.2 tp10 -140.19 69.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' B' ' 54' ' ' PRO . 62.6 t -69.15 121.36 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.514 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.2 mm -118.37 151.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.899 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -135.71 122.69 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.447 ' N ' ' O ' ' B' ' 25' ' ' SER . 17.7 m -74.76 142.19 44.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -94.26 154.18 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 1.3 mptm? -74.25 -6.39 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.9 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.95 -12.4 31.97 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -80.61 -170.4 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -145.45 143.93 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 1.106 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -123.66 107.18 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.514 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.0 OUTLIER -63.13 138.77 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' B' ' 59' ' ' VAL . 23.9 mt -109.44 165.89 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.847 ' O ' HG21 ' B' ' 59' ' ' VAL . 19.3 t30 -96.82 110.29 52.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.556 ' HB3' HG23 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.05 46.5 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.51 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 28.5 t -127.62 147.56 63.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.568 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -99.36 -19.15 17.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.847 HG21 ' O ' ' B' ' 53' ' ' ASN . 3.6 t -75.77 -19.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.545 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -95.29 3.67 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -117.23 -15.85 10.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.59 HD11 ' HA2' ' B' ' 17' ' ' GLY . 10.7 mt -92.99 -16.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.993 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -94.3 -55.69 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.93 -34.89 60.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 6.3 mtpt -72.73 -35.32 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.512 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -62.93 -38.94 92.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.899 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.4 mp -70.69 -15.41 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.63 -27.2 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 6.2 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 57.3 m -83.85 160.21 21.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -91.77 -5.36 53.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 132.1 20.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -92.24 -18.79 22.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 14' ' ' THR . 9.4 tt0 -135.15 168.19 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.6 p -151.45 165.4 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.439 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.893 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 17.6 mt -99.43 -178.17 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 4.7 tp60 -103.41 -14.21 16.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.481 ' CA ' ' CD1' ' A' ' 62' ' ' ILE . . . 134.26 100.64 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 15' ' ' LEU . 24.2 mt -85.0 158.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -55.42 141.57 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HG2' ' A' ' 66' ' ' MET . 15.6 tp -78.34 0.68 24.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -80.3 -4.59 53.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' OD1' HD21 ' A' ' 44' ' ' LEU . 5.7 m-80 -115.73 -57.58 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.744 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -42.05 129.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.27 -24.45 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.431 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 0.3 OUTLIER -144.56 162.68 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.562 HG23 ' HE2' ' A' ' 66' ' ' MET . 25.5 t -129.79 138.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.02 123.95 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.944 HG11 ' CD1' ' B' ' 67' ' ' LEU . 24.9 t -119.92 118.54 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.29 98.73 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -57.65 171.54 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.05 21.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.46 -159.66 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.626 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.1 p-80 -110.75 -53.52 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.08 124.42 52.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.326 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.17 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.78 152.09 51.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.224 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 33.1 m -82.02 162.62 22.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.71 86.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 63' ' ' ILE . 43.4 t -76.72 128.01 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 40' ' ' VAL . 2.7 mm -124.22 131.53 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -119.8 134.14 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -87.79 135.4 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.9 149.93 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.09 -4.38 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.33 -8.94 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.79 -10.02 32.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -173.05 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.242 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.57 144.54 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -128.23 108.88 10.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.876 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.1 m -66.31 137.19 56.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -114.86 156.38 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.814 HD21 ' HB3' ' A' ' 55' ' ' ALA . 58.9 t30 -93.21 123.59 60.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.99 1.21 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.814 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -108.56 14.72 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -111.77 145.15 32.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.98 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -27.14 68.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.2 t -69.51 -16.17 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.79 3.66 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -116.39 -15.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' ' CA ' ' A' ' 17' ' ' GLY . 15.1 mt -94.15 -16.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 40' ' ' VAL . 16.5 mt -93.76 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 62.8 mt-10 -51.8 -36.39 47.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -73.65 -33.52 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.667 ' HG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.23 -36.47 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD12 HG11 ' B' ' 28' ' ' VAL . 7.7 mp -69.66 -15.69 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.2 mmtt -103.78 -29.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 62.15 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 m -97.4 141.02 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -5.99 47.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.61 134.97 24.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -102.37 -15.02 16.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.463 ' O ' HG23 ' B' ' 14' ' ' THR . 6.8 tt0 -135.08 168.24 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -152.81 165.57 34.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.799 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 13.2 mt -103.33 176.63 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.0 tm0? -94.61 -11.01 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.55 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 126.63 95.25 0.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.9 mt -77.61 163.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.493 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -51.75 135.65 28.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' B' ' 66' ' ' MET . 36.3 tp -80.36 3.21 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -86.92 -4.33 59.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -112.91 -44.93 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.772 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.9 OUTLIER -53.26 135.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -115.02 -25.64 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.58 159.11 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.955 HG11 HG12 ' B' ' 63' ' ' ILE . 42.9 t -133.99 139.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -134.65 127.04 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 67' ' ' LEU . 2.7 t -108.99 114.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -108.17 86.58 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.475 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -54.57 171.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.46 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -75.02 -174.13 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.78 -158.95 15.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.6 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.6 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.78 -56.56 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -113.95 119.27 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 108.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.6 24.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 11.8 mt-30 -129.37 159.09 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.499 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 14.9 m -87.02 160.34 18.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -147.28 91.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.7 HG22 HG22 ' B' ' 28' ' ' VAL . 54.2 t -87.0 109.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.851 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.4 mm -106.84 133.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.772 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -120.97 130.08 53.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 33.4 m -86.68 138.68 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -87.8 149.02 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.18 -4.41 32.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.519 ' HB3' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -100.14 -7.5 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.79 -8.38 36.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' B' ' 44' ' ' LEU . 43.9 mt-30 -82.46 -175.95 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -146.75 144.59 29.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.63 112.16 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.851 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.1 m -69.01 137.69 53.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.55 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.3 mt -110.11 165.58 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.884 ' O ' HG21 ' B' ' 59' ' ' VAL . 60.8 t30 -94.12 120.73 65.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.499 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.44 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -113.08 23.57 13.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.481 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 4.7 t -116.83 143.31 31.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.3 14.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.3 tpp -76.0 -20.55 57.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.884 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.88 -20.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.69 4.06 54.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -116.72 -15.82 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.785 HG23 HD13 ' B' ' 20' ' ' LEU . 13.5 mt -92.6 -16.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.955 HG12 HG11 ' B' ' 26' ' ' VAL . 14.4 mt -92.77 -55.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -53.32 -36.07 60.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 22.4 mmtm -76.34 -27.57 56.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.978 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.2 mmm -70.25 -38.67 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.944 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -72.3 -15.53 61.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 -27.22 12.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.9 t-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 65.6 m -78.01 157.49 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -2.06 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.68 133.3 22.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.8 -16.13 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' THR . 3.4 tm0? -134.37 168.2 19.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -151.99 165.46 34.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.849 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.4 mt -107.31 140.08 40.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 16.9 tt0 -64.95 -11.02 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 99.13 1.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 9.2 mt -94.39 162.48 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.3 t-160 -48.14 136.48 11.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.876 HD13 ' CG2' ' A' ' 62' ' ' ILE . 15.1 tp -80.67 2.77 24.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -19.49 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.612 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.1 m-80 -102.87 -43.72 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.755 ' HB ' HD12 ' A' ' 20' ' ' LEU . 5.6 mt -56.22 133.69 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.78 -24.28 9.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.92 157.15 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.943 HG11 HG12 ' A' ' 63' ' ' ILE . 38.6 t -127.09 134.43 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -128.75 127.02 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.978 HG23 HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -107.32 133.34 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 30' ' ' SER . 2.2 tmtt? -124.84 83.73 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -46.51 174.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 166.49 29.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.48 -161.86 8.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.03 8.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.2 p-80 -113.74 -53.04 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.55 124.56 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.256 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.72 23.78 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.2 mt-30 -125.34 161.25 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -82.68 161.48 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.817 ' CD ' HD11 ' A' ' 41' ' ' ILE . 1.9 tt0 -149.06 106.13 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 28' ' ' VAL . 72.0 t -102.28 115.91 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.817 HD11 ' CD ' ' A' ' 39' ' ' GLU . 3.6 mp -119.42 118.37 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.81 143.45 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m -92.73 144.24 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -90.33 150.8 21.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -74.87 -3.37 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.453 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.51 -8.46 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.93 32.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.08 -172.59 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -145.54 144.79 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.849 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.62 112.11 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -70.63 139.46 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 108.337 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 59' ' ' VAL . 23.9 mt -111.01 165.19 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 42.1 t30 -95.85 111.22 55.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HB3' HG23 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 47.84 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -166.83 30.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -123.03 149.23 56.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.45 18.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 62' ' ' ILE . 20.3 tpp -96.29 -33.55 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.3 t -65.55 -18.24 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 6.2 mmmm -95.13 3.26 54.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.1 mttm -118.92 -12.13 9.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.876 ' CG2' HD13 ' A' ' 20' ' ' LEU . 14.0 mt -94.45 -16.34 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.943 HG12 HG11 ' A' ' 26' ' ' VAL . 15.5 mt -95.9 -56.74 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 71.6 mt-10 -51.6 -28.94 15.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -84.04 -32.17 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.787 ' HG2' HD11 ' A' ' 20' ' ' LEU . 2.4 mmm -63.49 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.751 HD11 HG21 ' B' ' 28' ' ' VAL . 8.7 mp -71.12 -14.97 62.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -104.6 -23.74 13.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LYS . 26.3 t-20 61.71 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.34 158.7 15.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -4.48 58.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 134.0 24.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.85 -18.23 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.97 169.36 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -150.26 165.61 32.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.988 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.0 mt -99.21 159.89 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -89.79 -14.03 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.53 99.5 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 9.7 mt -99.47 163.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.49 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -57.09 133.82 55.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.831 HD11 ' HG2' ' B' ' 66' ' ' MET . 10.2 tp -79.86 1.75 25.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -69.69 -9.51 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HB3' HD21 ' B' ' 44' ' ' LEU . 10.7 m-80 -112.2 -43.65 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.63 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.6 mt -52.36 133.36 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -25.47 8.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.18 164.83 34.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.608 ' HB ' HG12 ' A' ' 28' ' ' VAL . 42.4 t -126.83 143.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 19.5 tptt -132.15 120.71 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.751 HG21 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -114.67 116.21 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.25 97.65 5.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -56.85 176.46 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -74.99 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.54 -161.88 11.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.05 1.45 7.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -114.53 -49.57 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -114.63 118.1 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.295 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.41 24.17 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -129.43 159.22 36.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -81.28 158.69 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -140.87 81.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.778 ' O ' HD13 ' B' ' 41' ' ' ILE . 39.9 t -80.4 126.35 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.806 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.64 156.68 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -143.35 133.58 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -85.33 141.33 30.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -89.56 150.42 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.99 38.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.36 -8.18 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.61 -8.83 34.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -83.11 -173.28 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -145.5 144.49 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.988 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.13 111.73 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.806 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.79 139.37 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' B' ' 59' ' ' VAL . 19.9 mt -112.04 156.62 21.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.61 HD21 ' HB3' ' B' ' 55' ' ' ALA . 61.8 t30 -90.93 120.28 68.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.495 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.5 Cg_endo -74.96 1.06 8.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.61 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -107.9 10.6 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t -107.91 143.01 26.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -35.52 3.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -28.11 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.653 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -69.47 -14.48 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.3 OUTLIER -97.54 3.53 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 22.6 mttt -117.63 -15.52 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.603 ' CG2' HD13 ' B' ' 20' ' ' LEU . 16.7 mt -92.45 -16.45 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.674 HD11 HG11 ' B' ' 40' ' ' VAL . 46.3 mt -95.52 -54.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 58.2 mt-10 -58.03 -34.29 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.7 -29.28 62.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -66.27 -39.64 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.905 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.6 mp -69.88 -15.9 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -102.64 -27.04 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 21.5 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -90.65 148.38 22.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -5.41 50.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 127.16 16.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mt -92.44 -20.15 21.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 14' ' ' THR . 1.6 tp60 -129.11 170.45 13.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.1 p -158.83 165.65 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.997 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.1 mt -99.07 175.83 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tm0? -108.73 -15.37 14.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.12 102.23 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -101.73 158.13 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -51.34 138.97 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 66' ' ' MET . 10.2 tp -85.1 7.95 19.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -85.48 -22.63 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.1 m-80 -96.07 -39.86 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.3 mt -56.93 132.85 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -25.05 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 162.16 29.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.934 HG23 ' SD ' ' A' ' 66' ' ' MET . 48.3 t -124.38 135.81 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 25' ' ' SER . 11.2 tptm -125.09 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.609 HG11 HD12 ' B' ' 67' ' ' LEU . 18.2 t -109.75 116.62 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.48 82.03 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -42.43 162.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.54 -157.61 8.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -114.1 -56.1 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 43.0 t -103.68 117.59 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 24.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 3.9 mp0 -134.36 153.55 51.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 4.1 m -73.32 156.73 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -134.93 81.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -77.37 123.72 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mt -126.89 111.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -99.26 131.4 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -85.15 149.96 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -5.26 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.48 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.73 -9.49 34.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.8 mt-30 -82.96 -176.52 6.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -142.64 144.06 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.997 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.55 109.65 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.75 138.11 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.7 mt -112.74 154.45 26.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -89.38 115.93 65.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.79 5.94 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -106.28 145.43 30.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -32.12 5.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.14 -19.2 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.805 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.0 t -84.24 -3.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.01 3.86 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -15.66 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 58' ' ' MET . 15.9 mt -92.91 -16.65 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 26' ' ' VAL . 18.0 mt -94.85 -56.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.94 -25.09 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -89.1 -29.61 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.934 ' SD ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -54.95 -38.05 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.59 ' HG ' HG11 ' B' ' 28' ' ' VAL . 5.8 mp -68.61 -14.23 62.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -105.13 -32.68 8.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.1 t30 61.33 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.0 m -104.08 146.21 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -2.95 28.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 129.46 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.95 -15.23 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.526 ' O ' HG23 ' B' ' 14' ' ' THR . 0.5 OUTLIER -133.86 169.42 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -154.7 165.38 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.971 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.9 mt -94.0 173.35 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.4 tm0? -111.72 -14.75 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.88 98.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 HD13 ' B' ' 15' ' ' LEU . 2.9 mm -103.61 161.13 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.46 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -56.27 131.11 47.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.871 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.5 tm? -87.84 15.48 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -95.21 -24.67 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.51 ' HB3' HD21 ' B' ' 44' ' ' LEU . 2.5 m-20 -91.41 -32.91 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.638 ' HB ' HD22 ' B' ' 20' ' ' LEU . 0.9 OUTLIER -56.71 135.6 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -25.3 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.73 162.82 39.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.525 HG11 HG12 ' B' ' 63' ' ' ILE . 24.2 t -125.22 130.2 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.0 tptp -123.86 122.06 37.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.59 HG11 ' HG ' ' A' ' 67' ' ' LEU . 76.0 t -115.7 124.95 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 90.0 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.7 OUTLIER -50.71 -179.76 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.3 Cg_endo -74.98 -175.13 2.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.49 -157.53 9.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PRO . . . . . 0.649 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.99 1.49 7.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -120.1 -60.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.8 OUTLIER -97.54 116.78 30.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.261 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.22 24.65 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 31' ' ' PRO . 48.1 mm-40 -118.14 -129.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -151.97 160.81 43.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 38' ' ' THR . 1.9 tp10 -141.94 102.2 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.697 HG11 HD11 ' B' ' 63' ' ' ILE . 74.5 t -104.23 116.08 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 mp -125.67 126.25 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.562 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -112.2 135.82 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.5 m -84.5 141.09 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -89.38 150.35 22.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . 0.51 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -73.68 -4.78 36.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.38 -8.93 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.14 -7.86 32.97 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.452 1.095 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -84.36 -172.81 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -146.47 145.0 30.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.49 110.09 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -69.58 137.03 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' B' ' 15' ' ' LEU . 23.2 mt -110.84 164.19 13.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.549 ' H ' HG21 ' B' ' 59' ' ' VAL . 63.5 t30 -103.33 116.6 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.28 11.71 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 21.3 t -116.61 144.23 32.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.13 10.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.453 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -75.41 -22.05 57.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . 0.667 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.5 t -81.06 -11.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.61 3.57 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -117.6 -15.55 10.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.805 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.1 mt -90.71 -17.91 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ILE . . . . . 0.697 HD11 HG11 ' B' ' 40' ' ' VAL . 16.2 mt -92.55 -57.8 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.78 -36.33 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -69.87 -38.51 76.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.7 mmm -56.04 -41.33 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.609 HD12 HG11 ' A' ' 28' ' ' VAL . 6.6 mp -66.07 -15.81 63.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -101.4 -23.75 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -115.06 85.01 2.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.77 167.36 9.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -135.42 -144.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 m -93.86 152.19 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -91.43 7.31 41.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -126.1 115.03 19.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 108.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.36 -25.86 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' THR . 4.8 tt0 -134.83 178.35 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.0 p -158.56 159.73 35.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.052 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 1.8 mt -122.05 134.71 54.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.5 tt0 -102.55 68.33 1.04 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.49 104.69 2.9 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.561 HG13 HD13 ' A' ' 15' ' ' LEU . 4.9 mm -131.52 159.79 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.9 135.17 49.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.644 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.9 tp -85.11 8.77 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -90.74 -24.04 20.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.665 ' CG ' HD21 ' A' ' 44' ' ' LEU . 2.0 m-20 -91.31 -40.75 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.49 127.64 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.65 -19.14 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.06 156.63 37.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -128.56 133.05 67.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -125.58 123.68 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.823 HG11 ' CD1' ' B' ' 67' ' ' LEU . 25.6 t -116.15 117.27 54.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 91.42 3.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.464 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -48.29 173.72 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.031 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 172.95 15.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.39 -160.36 8.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.464 1.103 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -111.54 -52.97 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.639 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.59 124.7 52.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.12 24.17 3.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.31 157.81 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 17.1 m -82.47 161.87 22.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -146.61 79.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.738 HG11 HD11 ' A' ' 63' ' ' ILE . 84.6 t -72.79 122.08 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.2 mt -122.61 116.94 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.72 140.06 41.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.3 m -88.21 140.43 29.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -87.45 153.28 21.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.591 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -77.05 -0.6 25.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.83 -8.13 19.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.08 -4.97 33.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -88.39 -172.25 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 0.729 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -144.68 145.4 31.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.052 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.08 111.66 11.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' LEU . 7.1 m -70.35 137.36 50.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.7 mt -105.08 164.04 12.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' O ' HG11 ' A' ' 59' ' ' VAL . 26.4 t30 -97.85 110.19 54.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.99 48.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.49 29.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.4 t -126.09 147.31 58.92 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.16 20.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -93.5 -25.49 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.738 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.7 t -71.74 -15.4 18.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 4.14 47.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -116.86 -15.35 10.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 mt -94.31 -16.87 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.9 mt -93.77 -55.73 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -52.7 -36.27 56.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 2.9 mtmt -70.62 -38.87 73.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.702 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.6 mmm -55.64 -38.06 69.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.789 HD12 HG11 ' B' ' 28' ' ' VAL . 8.1 mp -67.47 -16.5 64.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.4 mptt -100.68 -28.81 12.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 68' ' ' LYS . 20.3 t30 62.03 -78.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 93.5 -104.62 3.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -70.84 -172.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.57 88.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -113.08 83.52 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.98 166.55 10.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -134.4 -145.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.6 m -91.46 156.4 17.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 108.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -5.21 59.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 126.91 15.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mt -87.67 -21.59 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.58 169.35 17.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -149.57 165.68 31.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.032 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 20.1 mt -97.55 161.25 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 9.2 tt0 -93.33 -12.26 30.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.96 98.0 0.49 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 2.4 mt -100.21 163.19 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.492 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -51.66 135.13 29.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.986 HD11 ' HG2' ' B' ' 66' ' ' MET . 34.8 tp -84.01 7.24 19.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -81.28 -19.25 43.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.548 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.0 m-20 -97.74 -40.94 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.723 ' HB ' HD12 ' B' ' 20' ' ' LEU . 2.7 mt -57.77 128.81 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -20.23 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.36 154.5 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 1.023 HG11 HG12 ' B' ' 63' ' ' ILE . 37.3 t -128.9 132.0 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.76 126.82 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 40' ' ' VAL . 2.2 t -113.29 124.73 70.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -123.83 86.13 2.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.456 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -46.71 173.51 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.003 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -74.99 178.74 6.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.06 -157.59 8.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.99 0.85 8.4 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.587 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.9 p-80 -116.59 -58.19 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 44.1 t -101.71 114.53 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' B' ' 37' ' ' GLN . . . -91.54 24.4 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' B' ' 36' ' ' ALA . 36.9 mm-40 -134.18 155.53 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.2 m -82.3 156.3 24.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.86 96.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' B' ' 28' ' ' VAL . 64.1 t -86.25 127.61 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -125.38 116.83 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.65 145.16 33.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -93.95 131.99 38.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -78.69 150.5 32.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.513 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.65 -3.83 33.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.2 -8.75 24.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.96 -6.92 32.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.161 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -86.37 -172.55 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -144.24 144.54 31.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 1.032 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -136.33 114.94 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.17 143.05 43.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.6 mt -111.56 165.7 11.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.808 ' O ' HG21 ' B' ' 59' ' ' VAL . 58.3 t30 -97.67 118.03 64.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.92 1.77 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.67 21.84 15.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.513 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 6.0 t -119.4 140.43 29.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -10.06 20.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.528 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -90.6 -13.6 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.808 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.6 t -81.3 -17.39 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -93.74 3.41 55.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -16.18 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.747 HG23 HD13 ' B' ' 20' ' ' LEU . 17.7 mt -90.28 -16.93 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 1.023 HG12 HG11 ' B' ' 26' ' ' VAL . 16.5 mt -93.23 -58.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -50.35 -33.87 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.9 OUTLIER -73.95 -37.63 64.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.986 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.1 mmm -59.96 -42.69 94.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.823 ' CD1' HG11 ' A' ' 28' ' ' VAL . 10.1 mp -67.14 -15.6 63.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 70' ' ' GLY . 25.4 mtpt -101.78 -26.6 13.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' B' ' 65' ' ' LYS . 8.2 t-20 61.67 -78.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -152.95 137.97 6.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.47 -59.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 90.2 p -170.65 88.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 31.8 t30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -113.26 84.84 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -105.57 161.92 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -135.11 -145.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -91.98 147.71 22.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -5.32 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 134.67 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.25 -14.98 16.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -135.3 166.81 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.8 p -151.96 164.64 36.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.928 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 mt -94.86 -179.6 4.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -113.82 -16.12 12.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.02 100.39 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 23' ' ' ILE . 7.1 mm -96.29 161.86 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -69.37 138.81 53.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.572 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.9 tp -77.19 -0.63 25.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -85.52 -12.79 50.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.6 m-20 -104.57 -46.22 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD12 HG22 ' A' ' 18' ' ' ILE . 1.3 mt -59.52 132.14 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.18 -14.97 12.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.48 161.72 30.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 63' ' ' ILE . 75.3 t -128.4 142.99 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.3 OUTLIER -140.07 126.59 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.727 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.5 t -115.91 100.7 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.1 82.76 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.48 ' HB2' ' HE1' ' B' ' 66' ' ' MET . 0.6 OUTLIER -45.44 170.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.3 Cg_endo -74.95 178.42 7.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.13 -157.69 8.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.499 1.789 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -117.53 -56.57 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.0 t -103.11 116.93 33.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 0.0 108.319 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.79 24.28 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 26.1 mm-40 -137.21 152.4 49.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.5 m -78.46 165.15 24.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -155.9 83.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 28' ' ' VAL . 64.1 t -68.08 128.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mt -128.99 108.17 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -98.71 141.21 31.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -88.42 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.577 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.39 149.7 26.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -3.29 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.01 -9.65 22.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.5 -8.84 30.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -85.25 -170.85 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -145.1 145.18 31.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.928 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.58 111.81 10.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.713 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -71.87 139.12 48.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.305 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.507 HD23 ' HB2' ' A' ' 15' ' ' LEU . 12.9 mt -112.53 160.44 17.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.06 118.73 66.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -0.46 10.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.45 14.48 30.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.0 t -114.99 145.41 33.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -41.43 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -24.05 66.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 63' ' ' ILE . 17.0 t -76.3 -2.67 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.29 3.11 29.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.07 -16.23 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.1 mt -90.35 -16.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.773 HD12 ' O ' ' A' ' 59' ' ' VAL . 17.2 mt -93.53 -57.31 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -53.04 -33.21 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 11.6 mttp -73.99 -35.88 64.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.626 ' HG3' HG23 ' A' ' 26' ' ' VAL . 1.5 mmm -58.01 -37.39 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.547 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.8 mp -70.06 -15.38 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.77 -28.65 11.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.7 t-20 61.6 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 136.07 -114.68 1.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -73.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 99.3 p -170.13 68.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.243 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -114.75 84.61 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.5 mp -106.01 169.2 8.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -136.06 -144.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.33 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 46.1 m -98.11 169.85 9.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 108.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -101.82 -5.29 25.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.66 135.83 25.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -15.98 17.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.457 ' O ' HG23 ' B' ' 14' ' ' THR . 0.6 OUTLIER -135.43 169.07 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.457 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.0 OUTLIER -152.63 165.41 35.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.777 HD12 ' HB1' ' B' ' 50' ' ' ALA . 95.7 mt -103.65 165.0 11.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.6 -13.03 52.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.09 99.74 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.77 ' CG1' HD13 ' B' ' 15' ' ' LEU . 4.7 mm -78.74 154.02 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.8 138.56 10.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.612 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.495 HD11 ' HG2' ' B' ' 66' ' ' MET . 47.4 tp -83.01 5.69 21.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -23.1 20.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.489 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.8 m-20 -94.1 -49.32 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -47.11 128.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.71 -25.03 9.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.5 OUTLIER -147.13 159.81 43.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.963 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' B' ' 66' ' ' MET . 25.6 t -127.42 133.44 67.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 17.9 tptp -126.79 120.7 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.547 HG11 ' CD1' ' A' ' 67' ' ' LEU . 22.3 t -113.77 118.19 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.69 90.94 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.6 OUTLIER -56.01 171.13 0.39 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.417 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.98 170.8 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -143.84 -160.72 8.57 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.57 7.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.14 -53.37 2.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.32 123.12 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.299 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.38 3.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.417 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 22.0 mm-40 -126.09 153.1 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -81.34 158.42 24.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -138.56 81.33 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.815 ' O ' HD13 ' B' ' 41' ' ' ILE . 60.3 t -79.88 124.48 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.815 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.3 mm -126.41 152.93 34.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -141.69 129.63 21.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.8 m -81.62 139.48 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.505 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -87.92 149.97 23.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.505 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.62 -4.97 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.2 -8.34 27.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.36 -5.91 35.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -87.1 -172.9 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 145.03 31.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.777 ' HB1' HD12 ' B' ' 15' ' ' LEU . . . -131.53 111.84 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.18 136.62 52.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 108.362 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 23.5 mt -110.85 158.83 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.469 HD21 ' HB3' ' B' ' 55' ' ' ALA . 66.2 t30 -93.08 120.07 67.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.494 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.21 9.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.469 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -106.16 15.01 26.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.0 t -114.53 144.49 31.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.667 ' HG3' HD11 ' B' ' 62' ' ' ILE . 32.9 tpp -59.06 -26.73 64.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.739 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -70.02 -16.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 3.9 51.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -116.62 -15.98 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.667 HD11 ' HG3' ' B' ' 58' ' ' MET . 15.3 mt -93.31 -16.57 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.739 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.0 mt -93.68 -55.57 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -53.12 -35.8 60.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 69' ' ' ASN . 10.5 mmtt -71.11 -36.78 72.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.706 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.5 mmm -59.8 -38.94 83.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.727 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -69.44 -15.6 63.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.7 OUTLIER -103.33 -23.64 13.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.6 t30 61.94 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 125.33 171.21 13.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.138 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -82.65 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 36.1 p -176.1 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.07 85.3 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.75 168.12 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -135.81 -143.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.6 m -96.8 161.48 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -91.44 -3.03 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 133.05 23.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.53 -15.5 18.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -134.69 169.85 16.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.9 p -153.74 165.17 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.901 HD13 HD13 ' A' ' 18' ' ' ILE . 4.0 mt -104.09 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -97.03 -14.74 21.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.52 102.63 0.96 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.901 HD13 HD13 ' A' ' 15' ' ' LEU . 3.9 mp -95.29 163.89 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.463 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -43.97 136.95 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.605 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.5 tm? -87.71 12.57 12.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -89.97 -22.19 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.3 m-20 -94.67 -39.84 10.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.9 mt -55.42 133.95 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.08 -23.56 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.47 161.32 35.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.994 HG11 HG12 ' A' ' 63' ' ' ILE . 41.0 t -131.45 136.22 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' CB ' ' HD3' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -129.54 126.6 38.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.914 HG11 ' HG ' ' B' ' 67' ' ' LEU . 53.8 t -114.67 95.83 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.58 86.2 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.479 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.5 OUTLIER -47.32 171.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.02 171.92 17.37 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 -161.75 9.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.49 7.66 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -112.82 -51.37 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.647 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.84 126.13 54.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.25 23.98 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 34.3 mm-40 -130.18 156.26 44.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.7 m -83.26 162.52 21.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.376 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -144.96 79.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG22 ' A' ' 28' ' ' VAL . 55.4 t -73.27 114.64 13.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.18 117.23 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.26 143.7 36.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -91.87 139.77 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -87.54 150.51 23.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.35 -3.95 33.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.8 -7.69 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.94 -5.2 36.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -87.36 -172.7 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 0.791 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -145.66 145.58 30.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.79 113.52 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.22 138.54 43.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.304 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 27.9 mt -109.57 165.46 11.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 60.1 t30 -92.27 112.29 54.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.01 48.17 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.93 32.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.8 151.99 58.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -27.15 10.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.562 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -82.88 -17.93 42.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.697 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.9 t -78.38 -9.77 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -101.99 2.62 38.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.08 -14.93 9.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.836 HG23 HD23 ' A' ' 20' ' ' LEU . 12.5 mt -90.69 -17.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.994 HG12 HG11 ' A' ' 26' ' ' VAL . 15.9 mt -93.85 -57.43 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -53.21 -29.98 35.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -34.85 50.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.863 ' HG2' HD21 ' A' ' 20' ' ' LEU . 2.5 mmm -62.0 -35.28 78.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 63' ' ' ILE . 9.0 mp -71.41 -16.01 62.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.3 OUTLIER -102.94 -31.28 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.2 t30 61.75 -78.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 126.15 -125.69 5.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 72' ' ' SER . 4.3 mtpt -94.01 -86.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER 79.94 108.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 t30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -85.29 56.63 4.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 1.1 mp -105.02 167.9 9.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -135.36 -143.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HA ' ' OE1' ' B' ' 39' ' ' GLU . 32.1 m -100.38 151.33 21.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -3.73 49.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 131.74 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 108.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -93.94 -17.76 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.509 ' O ' HG23 ' B' ' 14' ' ' THR . 0.7 OUTLIER -134.22 170.81 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -154.7 165.12 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.022 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 3.8 mt -97.87 176.61 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' B' ' 16' ' ' GLN . 4.4 tp60 -110.77 -13.37 14.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 149.27 96.25 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' B' ' 18' ' ' ILE . 4.1 mm -91.74 162.36 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.48 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -58.63 137.41 57.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.549 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' B' ' 66' ' ' MET . 48.2 tp -86.59 10.58 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -92.82 -13.03 29.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.591 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.1 m-20 -103.87 -49.1 3.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.805 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.8 OUTLIER -45.97 129.25 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.05 -25.05 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.452 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.3 OUTLIER -147.49 163.05 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.743 HG11 HG23 ' B' ' 63' ' ' ILE . 25.2 t -131.82 132.46 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.9 tptp -125.51 120.5 31.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 28' ' ' VAL . 0.4 OUTLIER -111.6 115.91 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -116.2 87.4 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.474 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.2 p -48.84 167.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.414 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 177.51 8.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -148.77 -160.78 9.27 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.595 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.79 7.34 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.595 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -111.11 -52.61 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.07 48.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.41 24.5 3.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.414 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.5 mm-40 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 28.7 m -75.72 163.56 27.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 9' ' ' CYS . 0.4 OUTLIER -139.98 83.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.803 HG11 HD11 ' B' ' 63' ' ' ILE . 97.1 t -81.27 122.17 35.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.6 mt -125.22 111.7 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.805 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -100.48 130.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.452 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.9 m -81.95 144.26 31.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.378 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -93.17 149.94 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.515 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.51 -4.8 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.96 -10.3 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.02 -12.44 29.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 30.2 mt-30 -82.86 -175.18 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -143.61 145.83 32.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 1.022 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.92 110.04 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.661 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -67.63 138.28 56.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' B' ' 15' ' ' LEU . 25.1 mt -110.65 165.29 11.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.445 ' H ' HG21 ' B' ' 59' ' ' VAL . 51.0 t30 -100.52 116.72 64.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.08 1.02 8.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.21 4.56 36.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 28.3 t -109.82 147.84 36.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -45.05 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.545 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.59 -20.55 48.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.758 ' O ' HD12 ' B' ' 63' ' ' ILE . 35.3 t -82.84 -3.51 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -107.38 3.55 25.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.27 -15.68 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.545 HD12 ' O ' ' B' ' 58' ' ' MET . 15.3 mt -92.47 -16.93 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.803 HD11 HG11 ' B' ' 40' ' ' VAL . 44.0 mt -93.63 -55.68 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.06 -35.47 62.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.6 OUTLIER -70.8 -35.82 72.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.77 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.4 tmm? -57.91 -38.14 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.914 ' HG ' HG11 ' A' ' 28' ' ' VAL . 7.6 mp -69.51 -15.23 63.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 1.9 ttmt -103.64 -26.63 12.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 9.4 t-20 62.41 -77.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -130.88 137.63 9.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 72' ' ' SER . 6.6 mttt -68.98 -173.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' B' ' 71' ' ' LYS . 0.1 OUTLIER 80.83 -53.01 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -114.97 77.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.3 mp -105.0 162.25 13.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -135.7 -143.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 35.6 m -94.65 154.5 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.295 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.18 5.74 50.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.74 114.46 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -87.08 -25.82 23.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.624 ' O ' HG23 ' A' ' 14' ' ' THR . 0.3 OUTLIER -135.42 178.46 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.363 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.4 p -158.66 160.32 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.381 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.108 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -117.96 139.9 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.7 tt0 -98.97 66.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' HA2' HD11 ' A' ' 62' ' ' ILE . . . 93.53 98.71 1.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 HG13 HD13 ' A' ' 15' ' ' LEU . 2.3 mm -118.79 155.05 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.06 132.93 55.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.56 HD11 ' HG2' ' A' ' 66' ' ' MET . 8.9 tp -86.82 13.35 9.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -89.88 -17.44 28.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.529 ' CG ' HD21 ' A' ' 44' ' ' LEU . 6.5 m-20 -98.77 -39.97 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.801 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -57.55 129.45 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.98 -25.1 8.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.455 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -144.96 164.87 29.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.985 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HG3' ' A' ' 66' ' ' MET . 29.5 t -131.47 134.98 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' B' ' 27' ' ' LYS . 8.6 tptt -131.47 120.99 23.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.675 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.4 t -113.11 121.65 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -124.07 87.05 2.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -48.17 176.57 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -74.96 174.83 12.1 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.49 -162.87 10.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.599 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -112.71 -49.63 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.59 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.49 120.4 37.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.03 24.07 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 18.6 mm-40 -126.12 160.34 30.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.481 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 32.6 m -76.49 161.88 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 37' ' ' GLN . 0.6 OUTLIER -144.76 78.12 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -80.58 124.55 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.3 mt -128.11 119.32 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.801 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -108.72 132.68 53.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 17.1 m -82.89 145.52 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -93.84 150.75 20.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.538 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.98 -4.72 36.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.9 -9.14 24.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.88 -11.81 32.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -82.48 -172.93 4.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -144.64 145.29 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.108 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.43 110.59 11.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.537 ' O ' HD12 ' A' ' 15' ' ' LEU . 7.4 m -67.61 140.25 56.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.249 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.596 ' HB3' HG22 ' A' ' 59' ' ' VAL . 50.8 mt -104.27 165.92 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.741 ' O ' HG21 ' A' ' 59' ' ' VAL . 12.9 t30 -98.79 109.05 52.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.96 45.84 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.97 25.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 44.0 t -128.78 145.12 55.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 1.06 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.606 ' O ' HD12 ' A' ' 62' ' ' ILE . 4.5 tpp -101.71 -16.16 16.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.741 HG21 ' O ' ' A' ' 53' ' ' ASN . 3.1 t -80.23 -20.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.7 3.79 54.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.22 -16.0 10.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 58' ' ' MET . 20.2 mt -91.32 -17.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.8 mt -92.5 -58.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -48.49 -35.95 14.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 5.2 mmtt -71.93 -38.08 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.56 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.1 mmm -57.57 -39.71 77.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HG ' HG11 ' B' ' 28' ' ' VAL . 6.5 mp -68.08 -15.58 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.29 -30.32 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t-20 61.73 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 150.19 -122.69 1.44 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.051 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -60.25 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.62 -56.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.7 t30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.416 ' N ' HD12 ' B' ' 7' ' ' LEU . 40.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.98 55.15 3.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.422 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.0 mp -104.71 167.79 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -135.69 -142.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 64.3 m -101.73 145.88 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.07 -2.27 47.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.03 137.0 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.06 -15.13 14.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -135.16 168.17 19.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.4 p -152.5 163.94 38.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.872 HD13 HG13 ' B' ' 18' ' ' ILE . 10.2 mt -95.19 -177.44 4.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -112.6 -13.71 13.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.63 101.38 0.22 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.872 HG13 HD13 ' B' ' 15' ' ' LEU . 2.5 mm -97.56 159.19 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.749 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.482 ' CG ' ' HD3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -61.88 145.82 51.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.608 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.556 HD13 ' HG2' ' B' ' 66' ' ' MET . 12.1 tp -85.48 7.61 22.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -88.84 -20.93 24.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.436 ' OD1' HD21 ' B' ' 44' ' ' LEU . 8.3 m-20 -98.2 -49.59 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.619 HD12 HG22 ' B' ' 18' ' ' ILE . 1.5 mt -55.45 128.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.01 -18.06 11.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.77 158.9 42.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.712 HG23 ' HG3' ' B' ' 66' ' ' MET . 26.0 t -129.25 133.07 66.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.19 125.62 33.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 40' ' ' VAL . 45.8 t -118.51 104.44 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.06 87.31 4.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.471 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.3 OUTLIER -52.74 169.31 0.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.48 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -75.01 168.5 24.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.55 -156.9 7.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.629 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 2.89 6.11 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.536 1.808 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.629 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.2 p-80 -113.23 -53.94 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.39 128.19 55.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.346 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' B' ' 37' ' ' GLN . . . -97.35 23.13 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.48 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 2.9 mt-30 -131.33 158.3 41.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -89.75 162.35 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -155.09 95.56 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.734 HG22 HG22 ' B' ' 28' ' ' VAL . 93.2 t -82.07 123.0 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -123.39 107.44 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.18 138.57 36.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -86.46 135.71 33.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.521 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -83.04 150.46 26.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.521 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.51 -3.5 31.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.08 -8.28 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.12 -9.87 33.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.07 -172.56 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 mttt -144.21 144.72 31.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.824 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.82 114.15 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -74.86 138.93 42.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' B' ' 15' ' ' LEU . 21.1 mt -111.81 161.26 16.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.486 ' O ' HG11 ' B' ' 59' ' ' VAL . 51.2 t30 -95.88 118.56 65.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 0.4 8.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.02 1.65 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.424 ' HB3' ' CG2' ' B' ' 59' ' ' VAL . 15.0 t -99.58 143.41 26.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.0 Cg_endo -75.05 -29.79 7.77 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -20.68 52.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.4 t -78.92 -5.13 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 3.19 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.0 -15.9 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 16.4 mt -91.71 -16.47 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.785 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.1 mt -93.97 -54.64 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.32 -34.05 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 9.8 mmtp -72.9 -33.71 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.712 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.0 OUTLIER -59.18 -37.67 77.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.675 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.4 mp -69.06 -15.37 63.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -103.45 -29.99 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 25.0 t-20 61.86 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -48.27 169.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -106.11 -68.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.85 103.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 12.7 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -114.51 84.81 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.74 166.67 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -136.55 -144.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 29.1 m -97.1 169.26 9.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.335 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.83 -1.86 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 119.82 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -94.59 -14.89 24.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.606 ' O ' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -127.8 173.32 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -158.45 165.72 33.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.096 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.3 mt -104.89 -178.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -90.39 -13.16 35.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 148.24 -31.97 1.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.967 HG13 HD13 ' A' ' 15' ' ' LEU . 16.1 mm 55.6 164.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -72.3 141.25 48.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.706 HD11 ' HG2' ' A' ' 66' ' ' MET . 7.8 tp -81.28 -0.33 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 29.4 mtpt -86.95 -8.44 57.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.4 m-20 -108.33 -38.86 5.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -63.7 132.41 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.49 -25.11 8.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -148.03 157.05 43.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.711 HG11 HG12 ' A' ' 63' ' ' ILE . 39.5 t -127.59 136.11 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -132.45 125.64 31.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.754 HG21 ' HG ' ' B' ' 67' ' ' LEU . 0.5 OUTLIER -113.65 125.5 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 87.68 2.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.444 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -53.97 174.84 0.17 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.99 176.58 9.73 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -152.34 -160.93 9.88 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.03 1.25 7.96 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.47 -49.28 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 124.32 51.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.58 24.68 6.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 8.7 mm-40 -128.4 162.16 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 39' ' ' GLU . 24.6 m -90.35 172.78 8.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 8.0 pt-20 -168.91 113.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' CYS . 58.5 t -102.82 127.73 56.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.36 108.91 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.64 137.65 40.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 19.4 m -86.37 135.9 33.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD21 ' OD1' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -82.18 149.46 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.31 -2.68 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.46 -8.63 22.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.43 -1.17 34.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -91.62 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.733 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -144.08 144.93 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.096 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -140.08 117.43 11.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.74 146.06 38.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 108.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.75 HD22 ' HA2' ' A' ' 17' ' ' GLY . 14.9 mt -112.19 163.79 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.769 ' O ' HG21 ' A' ' 59' ' ' VAL . 61.5 t30 -92.37 117.1 67.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.37 11.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.8 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -103.57 17.21 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.491 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 11.1 t -119.25 140.74 29.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -29.2 8.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -20.34 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.769 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.1 t -70.45 -18.14 21.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -94.13 3.97 54.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -114.34 -16.61 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.513 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.4 mt -94.64 -16.67 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.711 HG12 HG11 ' A' ' 26' ' ' VAL . 27.1 mt -93.85 -55.27 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.33 -36.12 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.9 mttm -73.17 -32.7 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.706 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -61.62 -38.31 87.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.671 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.1 -15.63 63.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -102.75 -30.36 10.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 61.62 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 60.36 103.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.59 -68.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 71.36 77.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 63.0 t-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 5' ' ' THR . 7.3 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -111.61 83.68 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -106.69 168.18 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.361 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -135.47 -145.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.404 ' SG ' ' OE1' ' B' ' 37' ' ' GLN . 55.5 m -93.55 146.91 23.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -5.1 56.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.46 136.6 26.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -104.15 -15.99 15.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.577 ' O ' HG23 ' B' ' 14' ' ' THR . 1.0 OUTLIER -134.62 172.57 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.577 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.9 165.91 34.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.086 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 9.7 mt -105.11 174.73 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -86.48 -11.98 50.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.671 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.1 -40.46 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.972 HD12 HD13 ' B' ' 15' ' ' LEU . 3.7 mt 55.45 164.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.508 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -60.99 150.44 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.571 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.95 HD13 ' O ' ' B' ' 20' ' ' LEU . 2.3 tm? -98.18 9.21 43.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -87.48 -21.28 25.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.465 ' HB3' HD21 ' B' ' 44' ' ' LEU . 6.9 m-20 -95.42 -36.24 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.734 ' HB ' HD22 ' B' ' 20' ' ' LEU . 2.3 mt -59.12 132.96 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.65 -25.28 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.43 164.07 38.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.538 HG11 HG12 ' B' ' 63' ' ' ILE . 26.1 t -127.95 131.73 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 11.0 tptm -123.72 118.92 28.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.671 HG11 ' CD1' ' A' ' 67' ' ' LEU . 70.5 t -110.22 121.5 63.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.4 OUTLIER -120.79 81.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.438 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -43.63 167.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.2 Cg_endo -75.03 171.65 17.91 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.54 1.811 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.86 -158.32 7.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.98 1.51 7.64 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -112.45 -53.0 2.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 53.3 t -112.63 119.36 37.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.22 24.05 3.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.5 mp0 -129.77 153.7 47.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 6.2 m -77.78 157.37 30.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -142.68 87.63 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.08 126.2 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.7 mp -124.94 111.98 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.606 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -99.34 129.42 45.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -80.32 145.05 32.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -93.62 150.63 20.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.19 -4.42 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.34 -9.43 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.84 -12.73 29.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -81.13 -173.7 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -146.23 145.06 30.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 1.086 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.07 112.24 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.7 OUTLIER -66.39 140.31 58.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.671 HD22 ' HA2' ' B' ' 17' ' ' GLY . 26.4 mt -111.34 164.24 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.414 ' H ' HG21 ' B' ' 59' ' ' VAL . 56.7 t30 -97.97 116.75 65.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.479 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.05 0.28 9.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.13 13.72 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.4 t -110.6 143.6 28.51 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -25.84 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.62 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -80.81 -19.82 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' B' ' 63' ' ' ILE . 43.3 t -82.08 -4.66 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -107.75 3.61 24.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -14.88 8.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD23 ' B' ' 20' ' ' LEU . 15.4 mt -92.81 -16.48 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.795 HD12 ' O ' ' B' ' 59' ' ' VAL . 17.2 mt -94.87 -54.82 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -54.04 -35.09 61.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.11 -36.27 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.833 ' HG2' HD21 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -56.34 -37.38 69.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.754 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.1 mp -68.7 -15.64 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' B' ' 70' ' ' GLY . 2.2 mtmt -102.45 -29.16 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.8 t30 61.53 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -88.51 145.24 18.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -170.96 2.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.28 -61.33 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -113.86 84.4 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.77 168.55 8.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -136.03 -144.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -97.98 164.6 12.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -4.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 129.77 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.37 -15.87 20.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -131.35 168.44 17.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.3 p -153.95 165.53 35.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.407 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 53.7 mt -96.31 -179.27 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.52 -14.3 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 139.91 100.53 0.46 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.562 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -99.94 163.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 0.799 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.2 t-160 -53.73 136.17 40.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.96 HD11 ' HG2' ' A' ' 66' ' ' MET . 44.4 tp -84.19 9.28 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.57 -15.3 49.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.542 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.9 m-80 -102.59 -42.47 5.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.667 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -54.06 130.94 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -24.99 8.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.01 164.9 35.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.55 HG11 HG12 ' A' ' 63' ' ' ILE . 30.2 t -130.47 134.81 61.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 10.2 tptm -127.98 119.92 26.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.735 HG11 ' HG ' ' B' ' 67' ' ' LEU . 68.9 t -111.73 113.72 45.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 82.12 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.95 172.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.01 165.79 30.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.23 -160.8 8.45 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.98 1.49 7.67 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.6 p-80 -114.56 -53.03 2.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.19 47.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.56 24.08 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -128.41 157.28 41.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 57.9 m -80.27 165.46 22.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -153.8 83.08 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG11 HD11 ' A' ' 63' ' ' ILE . 57.3 t -79.48 126.12 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.46 115.17 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -101.09 135.0 43.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -86.36 139.18 31.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -86.46 150.24 24.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.1 -4.78 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.73 -8.59 25.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.93 -11.85 32.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -81.75 -173.91 4.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -146.77 145.0 29.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.878 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -130.51 110.04 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -68.1 136.62 54.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.6 mt -111.56 166.03 11.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 59' ' ' VAL . 64.7 t30 -101.02 121.22 52.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -74.93 0.51 8.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.496 1.787 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.49 11.82 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 35.9 t -108.95 146.74 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -44.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -26.55 68.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.863 ' O ' HD12 ' A' ' 63' ' ' ILE . 39.1 t -71.87 -8.35 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.76 3.29 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -118.58 -15.77 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 20' ' ' LEU . 14.8 mt -92.18 -16.73 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.863 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.6 mt -93.7 -56.25 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.37 -35.48 60.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' ASN . 2.6 mtpm? -71.24 -35.22 71.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.96 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -56.7 -41.04 76.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.691 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -66.35 -15.5 63.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.18 -32.47 10.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LYS . 19.8 t-20 61.4 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 135.01 -115.62 1.43 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.75 -69.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.7 p -59.4 -65.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.637 ' OG1' HD11 ' B' ' 7' ' ' LEU . 2.0 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -115.15 84.17 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.845 HD13 ' N ' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -106.82 177.5 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.67 -143.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.65 167.52 15.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.297 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.68 -2.91 34.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.58 139.37 31.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.54 -13.86 14.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' HG23 ' B' ' 14' ' ' THR . 10.8 tt0 -132.61 166.15 22.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.419 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -151.95 165.06 35.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.453 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.732 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.5 mt -110.17 169.26 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -84.68 -14.7 47.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.686 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 133.59 103.92 0.84 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.58 HD12 ' CB ' ' B' ' 50' ' ' ALA . 8.3 mt -80.73 157.39 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.408 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -52.57 149.4 5.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' B' ' 66' ' ' MET . 15.2 tp -87.1 10.92 15.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.423 ' O ' ' CE ' ' B' ' 21' ' ' LYS . 0.1 OUTLIER -91.28 -18.74 23.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.418 ' OD1' HD21 ' B' ' 44' ' ' LEU . 5.9 m-80 -102.05 -49.97 3.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.786 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -48.35 131.85 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.22 -25.14 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.428 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.9 OUTLIER -155.05 164.73 38.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' B' ' 66' ' ' MET . 24.8 t -125.98 130.27 72.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' B' ' 41' ' ' ILE . 13.6 tptt -121.26 120.28 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.691 HG11 HD12 ' A' ' 67' ' ' LEU . 55.5 t -109.66 119.75 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 30' ' ' SER . 5.5 tmtt? -118.69 78.42 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.442 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -46.46 172.37 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.04 170.18 20.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.93 -158.01 7.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 0.62 8.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.806 ' CG ' HD23 ' B' ' 7' ' ' LEU . 1.1 p-80 -113.52 -56.86 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.68 123.09 47.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 108.324 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.86 24.59 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 26.7 mm-40 -131.0 160.04 35.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 39' ' ' GLU . 84.9 m -86.38 169.46 12.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.444 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' HG22 ' B' ' 38' ' ' THR . 0.5 OUTLIER -163.98 86.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.661 HG11 HD11 ' B' ' 63' ' ' ILE . 15.1 t -74.72 137.14 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.9 mp -130.09 108.52 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.786 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.1 128.33 40.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 24.7 m -79.59 141.56 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.546 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.51 150.91 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.546 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.69 36.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.51 -8.95 25.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.48 -9.66 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 65.1 mt-30 -84.48 -175.17 5.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.3 mptt -143.45 144.96 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.732 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.45 109.72 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.93 137.28 57.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 108.325 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.686 HD22 ' HA2' ' B' ' 17' ' ' GLY . 21.6 mt -110.59 164.58 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.461 ' O ' HG21 ' B' ' 59' ' ' VAL . 64.2 t30 -96.06 119.13 65.11 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.74 12.99 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 29.6 t -110.87 143.86 29.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.83 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.754 ' HG2' HD11 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -63.1 -26.2 68.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.769 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.4 t -68.67 -17.35 21.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.0 OUTLIER -96.84 3.67 52.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -116.4 -15.55 10.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.754 HD11 ' HG2' ' B' ' 58' ' ' MET . 13.8 mt -94.84 -16.46 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.769 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.7 mt -94.86 -53.65 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 44.0 mt-10 -55.91 -34.04 65.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.4 OUTLIER -76.85 -30.47 56.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.709 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.7 mmm -60.82 -36.32 78.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.735 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.3 mp -70.32 -15.29 62.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 9.4 mttt -103.67 -32.44 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' LYS . 18.2 t-20 61.35 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -164.47 -164.09 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.62 -53.62 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.2 t -179.62 76.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' HG23 ' A' ' 5' ' ' THR . 2.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.83 75.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.9 mp -109.08 163.34 13.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 7' ' ' LEU . 1.6 mtp85 -135.05 -143.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.6 161.95 13.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 108.353 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.61 -1.63 58.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 133.9 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.26 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.92 -16.62 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 tt0 -131.59 169.31 16.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.8 p -153.94 164.85 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.973 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 13.1 mt -95.06 177.37 5.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -112.69 -12.85 13.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.37 99.19 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.585 ' CG1' HD13 ' A' ' 15' ' ' LEU . 4.7 mm -98.95 157.46 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -57.59 139.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 15.0 tp -86.99 12.29 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -91.64 -20.55 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.482 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.4 m-20 -97.23 -42.54 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.9 mt -55.19 129.97 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.6 -22.11 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.442 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -153.05 163.61 39.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.693 HG23 ' HG3' ' A' ' 66' ' ' MET . 24.5 t -127.93 133.34 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -123.22 123.84 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG11 ' CD1' ' B' ' 67' ' ' LEU . 2.8 t -116.17 119.53 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 89.42 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.485 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -52.89 171.6 0.22 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.432 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.1 Cg_endo -75.08 162.0 37.64 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.79 -159.44 8.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.642 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.62 7.54 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.642 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.3 p-80 -116.03 -54.73 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.43 123.25 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 108.264 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.32 24.4 7.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 22.8 mt-30 -130.62 158.94 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 6.2 m -81.21 158.14 24.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.561 ' OE2' HD11 ' A' ' 41' ' ' ILE . 4.4 tt0 -145.26 95.66 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HD11 ' A' ' 63' ' ' ILE . 62.7 t -90.05 126.21 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.561 HD11 ' OE2' ' A' ' 39' ' ' GLU . 1.6 mp -127.9 109.44 19.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -97.74 136.42 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.7 m -86.62 142.53 28.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.86 150.41 21.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.25 33.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.65 -8.91 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.93 -8.44 33.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -84.57 -173.05 4.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -145.78 144.94 30.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.973 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -131.06 110.88 11.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -69.75 138.26 52.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 108.3 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.7 mt -112.52 165.63 12.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 62.5 t30 -100.52 118.98 59.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.455 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -75.03 -2.46 12.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.06 1.35 42.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.5 t -101.31 145.45 30.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.86 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -26.93 65.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.787 ' O ' HD12 ' A' ' 63' ' ' ILE . 18.4 t -70.43 -12.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 1.3 mmmm -98.93 4.04 47.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -116.49 -16.0 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mt -93.86 -16.52 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 59' ' ' VAL . 14.6 mt -93.54 -54.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 56.1 mt-10 -54.7 -35.89 64.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -71.28 -35.51 71.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.693 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.4 mmm -59.38 -37.88 79.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.13 -15.29 63.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -102.79 -33.78 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 65' ' ' LYS . 11.8 t30 61.91 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 112.99 -119.99 5.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -140.02 -62.88 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -176.81 -52.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -110.91 56.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.449 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.2 mp -107.74 169.73 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' B' ' 8' ' ' ARG . 1.6 mtp-105 -135.32 -145.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 60.7 m -98.73 142.15 30.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.84 5.87 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.85 114.63 20.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -89.96 -25.5 20.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.56 ' O ' HG23 ' B' ' 14' ' ' THR . 2.9 tm0? -135.4 177.31 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 13' ' ' GLN . 16.6 p -157.51 159.59 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.92 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 7.4 mt -123.05 152.83 40.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.8 tm0? -70.02 -15.26 62.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.19 104.63 1.72 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.665 HD12 HD13 ' B' ' 15' ' ' LEU . 6.7 mt -93.96 163.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.8 OUTLIER -54.91 126.59 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -55.86 -18.57 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.357 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -23.55 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.414 ' N ' ' C ' ' B' ' 20' ' ' LEU . 13.4 m-80 -99.81 -48.23 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.03 129.49 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.7 -17.99 11.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.447 ' HA ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -157.15 154.88 30.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.96 HG11 HG12 ' B' ' 63' ' ' ILE . 50.7 t -127.39 136.4 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.479 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -131.29 124.91 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.727 HG11 HD12 ' A' ' 67' ' ' LEU . 2.4 t -104.81 124.23 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.51 83.05 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -49.14 170.61 0.13 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.427 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 166.29 29.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.97 -159.75 8.03 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.597 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.57 7.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.597 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.71 -56.03 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.585 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 0.1 OUTLIER -108.39 124.31 50.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.305 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.8 24.12 6.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.427 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.6 mm-40 -126.78 162.32 26.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.4 ' O ' ' OE2' ' B' ' 39' ' ' GLU . 23.8 m -80.37 162.7 24.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' B' ' 38' ' ' THR . 2.4 mp0 -148.85 92.75 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.402 HG22 HG22 ' B' ' 28' ' ' VAL . 95.6 t -90.25 117.85 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.16 112.74 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.67 137.47 39.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -88.14 140.55 29.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.507 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -89.29 150.18 22.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.507 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.7 -5.02 38.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.37 -8.3 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.02 -8.28 36.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -84.66 -173.37 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -144.69 144.76 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.92 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.26 113.16 12.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.46 ' CB ' ' O ' ' B' ' 13' ' ' GLN . 7.7 m -68.72 138.09 54.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 41.4 mt -106.08 162.77 13.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG21 ' B' ' 59' ' ' VAL . 39.1 t30 -93.12 111.92 53.85 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 48.13 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.522 1.801 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.34 31.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -122.4 148.47 52.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.4 18.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 tpp -90.26 -25.96 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.621 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -70.53 -16.2 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -95.54 3.78 53.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -117.9 -16.69 9.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 mt -89.81 -16.66 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.96 HG12 HG11 ' B' ' 26' ' ' VAL . 15.9 mt -94.02 -57.15 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.91 -33.38 62.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.1 OUTLIER -77.97 -26.49 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.624 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -69.48 -37.59 77.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.724 ' CD1' HG11 ' A' ' 28' ' ' VAL . 8.8 mp -72.03 -15.64 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.64 -31.31 9.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' B' ' 65' ' ' LYS . 16.0 t30 61.49 -79.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -93.92 -167.55 37.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.06 -55.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 14.8 m 41.55 84.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.261 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.17 83.16 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 4.7 mp -106.51 162.14 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -135.98 -144.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.5 m -98.62 160.72 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -87.22 -3.51 59.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 134.79 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.11 -16.26 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' THR . 4.9 tt0 -134.65 170.56 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' GLN . 11.1 p -154.77 165.14 37.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.974 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 11.0 mt -99.06 176.03 5.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -100.12 -12.9 19.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.13 97.47 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 13.9 mt -96.05 162.22 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.476 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -49.17 138.26 12.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.631 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 66' ' ' MET . 24.7 tp -74.54 -2.75 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -72.59 -7.14 48.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.697 ' O ' HD23 ' A' ' 44' ' ' LEU . 5.4 m-80 -112.37 -31.68 6.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.412 ' HB ' HD12 ' A' ' 20' ' ' LEU . 3.0 mt -76.42 129.96 36.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' ' CA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.94 -22.7 9.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.9 160.67 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.769 HG11 HG12 ' A' ' 63' ' ' ILE . 79.4 t -134.62 142.4 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -144.29 124.79 13.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.812 HG11 ' HG ' ' B' ' 67' ' ' LEU . 77.8 t -113.96 127.83 71.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -122.67 91.1 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.2 OUTLIER -50.31 174.76 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.3 Cg_endo -74.97 178.18 7.6 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.22 -161.64 10.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.95 1.5 7.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.616 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.5 p-80 -114.67 -46.91 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.52 125.25 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.0 24.76 6.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.273 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 20.7 mt-30 -129.75 159.97 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -89.17 163.21 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.387 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 41' ' ' ILE . 7.6 pt-20 -154.71 115.34 3.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 28' ' ' VAL . 88.2 t -106.19 123.49 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.882 HD11 ' HG3' ' A' ' 39' ' ' GLU . 1.5 mp -120.37 121.78 66.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.35 140.33 48.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -90.53 131.95 35.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.58 148.87 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' CA ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.35 -2.41 25.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.527 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.3 -9.06 22.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.28 -4.72 31.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.39 -171.62 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -144.74 144.97 31.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.974 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.0 113.79 11.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.28 138.86 45.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 15' ' ' LEU . 18.4 mt -113.26 159.61 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -93.54 121.23 65.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.69 11.91 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -103.64 141.32 22.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.9 7.73 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 tpp -76.58 -25.13 53.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' A' ' 63' ' ' ILE . 6.1 t -70.95 -14.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -95.9 3.3 53.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -115.27 -15.27 11.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 20' ' ' LEU . 12.9 mt -95.72 -16.28 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.769 HG12 HG11 ' A' ' 26' ' ' VAL . 18.2 mt -96.18 -52.02 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -57.51 -36.24 71.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.8 ptpt -79.4 -23.27 43.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.511 ' CE ' ' HB3' ' B' ' 30' ' ' SER . 0.7 OUTLIER -67.17 -33.49 75.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.871 ' CD1' HG11 ' B' ' 28' ' ' VAL . 9.7 mp -72.37 -15.63 61.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.6 tttt -105.06 -33.16 8.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.8 t30 61.43 -79.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 136.23 -108.29 0.66 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -97.84 -67.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.0 t -176.7 -61.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.368 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.59 ' HB ' HD11 ' B' ' 7' ' ' LEU . 5.3 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -114.1 86.31 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.826 HD23 ' CD2' ' B' ' 34' ' ' HIS . 0.0 OUTLIER -104.3 176.01 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -135.65 -142.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.449 ' N ' ' SG ' ' B' ' 35' ' ' CYS . 80.4 m -87.45 149.1 24.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.326 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . 0.476 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -92.52 -1.61 56.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . 0.466 ' HB2' ' CG ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -144.59 132.67 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -102.62 -16.45 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.633 ' O ' HG23 ' B' ' 14' ' ' THR . 1.8 tp60 -129.14 172.98 10.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.633 HG23 ' O ' ' B' ' 13' ' ' GLN . 8.8 p -158.89 164.95 35.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.919 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -100.14 178.72 4.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -112.24 -13.04 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.22 98.77 0.16 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.843 HG13 HD13 ' B' ' 15' ' ' LEU . 3.4 mm -95.06 156.75 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.419 ' CD2' ' HG3' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -56.6 140.22 47.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.643 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' B' ' 66' ' ' MET . 13.5 tp -87.76 12.22 13.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' B' ' 19' ' ' HIS . 7.5 mttt -95.77 -19.09 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.575 ' CG ' HD21 ' B' ' 44' ' ' LEU . 2.9 m-20 -98.34 -45.0 6.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.586 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.0 OUTLIER -52.76 128.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.68 -24.61 9.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.417 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.4 OUTLIER -147.82 160.55 42.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.953 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.52 HG11 HG12 ' B' ' 63' ' ' ILE . 39.2 t -128.77 133.16 66.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -125.65 123.85 39.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.871 HG11 ' CD1' ' A' ' 67' ' ' LEU . 72.4 t -115.88 114.93 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.06 88.67 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.511 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -53.37 168.52 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.438 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 158.23 42.36 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.13 -160.5 8.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.637 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.0 2.77 6.25 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.826 ' CD2' HD23 ' B' ' 7' ' ' LEU . 1.1 p-80 -112.43 -46.07 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' B' ' 9' ' ' CYS . 1.2 m -127.71 122.61 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.85 23.78 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.9 mm-40 -127.56 148.48 50.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.49 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 18.1 m -69.9 160.82 31.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 41' ' ' ILE . 1.6 tt0 -148.12 91.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.666 HG11 HD11 ' B' ' 63' ' ' ILE . 57.6 t -88.46 126.15 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.665 HD11 ' OE2' ' B' ' 39' ' ' GLU . 2.9 mp -130.56 110.08 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.586 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -101.2 133.1 46.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 18.0 m -84.07 136.62 33.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.575 HD21 ' CG ' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -83.67 150.13 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.524 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.3 -4.15 34.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.468 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.81 -10.57 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.05 -8.97 29.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -85.93 -172.19 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 0.753 . . . . 0.0 110.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -144.79 144.6 31.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.919 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.43 111.55 10.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.514 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.52 138.57 49.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.561 ' HB3' HG22 ' B' ' 59' ' ' VAL . 24.5 mt -111.02 158.52 18.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -86.95 118.63 70.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.49 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -2.7 12.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.84 22.01 16.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 27.4 t -121.13 143.23 36.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.41 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.542 1.811 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -26.18 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.683 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.5 t -72.41 -15.15 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 4.11 54.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -115.66 -15.88 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.53 -16.41 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.683 HD12 ' O ' ' B' ' 59' ' ' VAL . 15.6 mt -94.8 -54.22 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -54.84 -35.22 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.9 mttt -73.18 -33.81 65.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.489 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.6 mmm -62.97 -37.89 88.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.812 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -70.71 -15.68 62.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.73 -27.99 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 7.7 t-20 61.95 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -177.03 129.85 1.54 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -173.32 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -77.44 -57.43 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 5' ' ' THR . 12.8 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.32 86.34 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -103.83 176.82 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -135.5 -142.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.0 m -81.91 165.92 20.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -103.22 -4.61 24.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 137.36 25.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.51 -14.63 14.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.5 ' O ' HG23 ' A' ' 14' ' ' THR . 2.3 tm0? -133.95 173.51 11.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLN . 19.8 p -156.26 165.75 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.902 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 2.0 mt -106.99 -178.75 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 9.1 tp60 -88.47 -13.38 40.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.878 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 146.93 -34.7 1.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 18.8 mm 55.63 164.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.477 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -64.62 138.51 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.924 HD11 ' HG2' ' A' ' 66' ' ' MET . 48.2 tp -84.82 8.06 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -86.76 -18.13 31.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.57 ' CG ' HD21 ' A' ' 44' ' ' LEU . 3.3 m-20 -99.49 -44.13 6.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HB ' HD12 ' A' ' 20' ' ' LEU . 2.3 mt -51.31 128.21 8.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.93 -21.83 10.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.77 161.17 42.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 63' ' ' ILE . 72.4 t -129.66 142.25 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -137.74 125.52 22.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.863 HG11 ' HG ' ' B' ' 67' ' ' LEU . 86.3 t -114.4 109.56 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.36 88.31 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 1.1 p -57.29 169.29 0.76 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.948 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.465 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 157.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.45 -158.66 7.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.98 0.83 8.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.811 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.2 -53.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.85 126.84 54.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 23.64 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 31.9 mm-40 -127.76 154.1 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.4 m -85.89 165.06 17.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.54 105.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.4 t -88.44 125.82 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.5 mp -126.44 111.36 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.64 139.28 39.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.6 m -88.72 131.02 35.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -77.3 150.21 35.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -74.96 -4.41 38.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.35 -9.65 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . 108.42 -2.05 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -91.59 -171.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 47' ' ' GLY . 2.4 mptt -142.22 144.61 33.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.902 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -138.51 113.23 9.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -74.92 141.49 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 108.303 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.878 HD22 ' HA2' ' A' ' 17' ' ' GLY . 11.3 mt -111.52 160.18 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.463 ' O ' HG21 ' A' ' 59' ' ' VAL . 67.3 t30 -91.08 117.37 67.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.46 8.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.55 19.76 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 t -118.74 142.16 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.41 11.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.447 1.762 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 62' ' ' ILE . 9.0 tpp -77.98 -19.69 54.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.674 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.0 t -79.26 -12.51 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -97.14 3.87 51.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' HG3' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -118.31 -15.7 9.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.521 HG23 HD13 ' A' ' 20' ' ' LEU . 15.6 mt -91.14 -16.78 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 26' ' ' VAL . 17.0 mt -93.41 -57.22 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -51.87 -36.27 47.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' ASN . 31.1 mmtt -71.33 -35.38 71.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.924 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -58.49 -39.44 80.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.811 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.2 mp -68.97 -15.51 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -102.42 -27.77 12.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' LYS . 8.4 t-20 61.51 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 151.63 -133.81 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -65.41 -63.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 t -172.83 -59.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.49 66.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.26 167.5 9.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.69 -144.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 15.0 m -97.9 160.67 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 108.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.37 -5.08 59.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 137.29 27.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.362 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.35 -15.04 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.471 ' O ' HG23 ' B' ' 14' ' ' THR . 5.8 tt0 -135.09 171.25 14.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -153.17 165.97 33.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.066 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.6 mt -102.61 134.33 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.7 tt0 -98.11 66.58 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.97 102.08 2.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.81 HG13 HD13 ' B' ' 15' ' ' LEU . 2.6 mm -123.51 158.84 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -65.24 131.54 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.9 HD23 ' CG2' ' B' ' 62' ' ' ILE . 1.2 tm? -89.73 17.15 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -94.83 -24.26 17.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.498 ' HB3' HD21 ' B' ' 44' ' ' LEU . 4.3 m-20 -93.46 -35.95 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.709 HG12 ' HB1' ' B' ' 42' ' ' ALA . 2.1 mt -56.8 132.46 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.47 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.71 -25.32 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.443 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.6 OUTLIER -146.97 165.0 31.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.99 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.843 HG23 ' HE2' ' B' ' 66' ' ' MET . 30.6 t -131.6 136.05 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.493 ' HG2' ' CG ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -129.15 122.34 29.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.811 HG11 ' CD1' ' A' ' 67' ' ' LEU . 5.2 t -114.33 119.24 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 98.65 5.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -58.77 173.5 0.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.03 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.33 -162.31 11.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.07 1.51 7.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.7 p-80 -113.77 -48.73 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.7 120.3 38.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.7 24.5 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 17.6 mm-40 -128.89 154.42 46.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.0 m -80.56 156.0 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -135.0 88.14 2.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.92 HG11 HD11 ' B' ' 63' ' ' ILE . 58.6 t -86.12 125.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.774 HD13 ' O ' ' B' ' 40' ' ' VAL . 1.1 mm -126.05 154.25 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -142.27 128.16 19.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.443 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 23.4 m -80.18 140.52 36.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.511 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -88.72 150.05 23.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.58 -4.93 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.07 -8.48 25.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.0 -10.08 34.1 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.94 -173.05 4.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -145.12 144.65 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.237 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 1.066 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.3 110.8 11.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.755 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -67.91 140.3 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' B' ' 14' ' ' THR . 23.8 mt -111.32 164.38 12.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.499 ' H ' HG21 ' B' ' 59' ' ' VAL . 35.8 t30 -101.57 114.78 65.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.483 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.98 0.89 8.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.69 5.64 33.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 25.3 t -105.2 142.09 23.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -28.91 8.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -26.3 59.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.603 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.4 t -71.55 -13.28 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.66 3.77 54.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -117.48 -15.46 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.9 ' CG2' HD23 ' B' ' 20' ' ' LEU . 14.1 mt -91.41 -17.34 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.92 HD11 HG11 ' B' ' 40' ' ' VAL . 14.9 mt -92.64 -57.47 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -51.39 -34.73 35.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' B' ' 69' ' ' ASN . 19.8 mmtt -73.82 -35.57 64.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.852 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.9 mmm -62.04 -36.08 80.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.863 ' HG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mp -71.33 -15.72 62.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -102.95 -29.21 11.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.1 t-20 61.89 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -121.55 157.02 16.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.63 -63.55 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -171.51 80.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 65.8 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.77 69.16 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.64 165.61 11.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -136.11 -144.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.07 168.92 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.153 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.99 -4.46 32.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 127.67 18.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 108.284 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mt -98.19 -13.47 20.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -130.56 171.67 12.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 13' ' ' GLN . 7.7 p -159.74 165.02 33.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.101 HD22 HD11 ' A' ' 18' ' ' ILE . 1.1 mt -112.79 164.51 13.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -82.01 -15.01 55.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.607 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 132.52 102.16 0.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.101 HD11 HD22 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -84.84 163.32 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -46.66 138.19 6.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 20' ' ' LEU . 2.0 tm? -84.01 7.36 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' CG ' ' A' ' 19' ' ' HIS . 2.0 pttm -87.97 -10.32 50.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' CG ' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -107.14 -38.83 5.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.646 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.2 mt -59.0 130.27 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' CG ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.74 -25.3 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.13 164.87 33.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 25.6 t -130.2 134.1 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -124.45 122.02 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' B' ' 67' ' ' LEU . 13.6 t -115.4 119.98 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.62 86.32 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.483 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.1 OUTLIER -51.84 174.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.96 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 35' ' ' CYS . . . -142.36 -159.47 7.95 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.2 8.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.628 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.4 p-80 -113.63 -49.82 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -113.31 124.82 53.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.297 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.78 23.71 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -130.44 159.01 38.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.446 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.5 m -89.49 157.35 18.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 2.3 pm0 -146.0 72.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 54' ' ' PRO . 32.1 t -64.7 135.41 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.9 mp -131.47 155.4 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -141.27 133.14 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.4 m -84.4 139.57 32.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -88.3 150.25 23.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.82 -4.49 35.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.94 -7.82 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.77 -8.01 36.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -83.69 -173.74 4.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.746 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -145.04 144.42 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -132.56 112.52 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.764 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.34 137.86 46.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.277 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD22 ' HA2' ' A' ' 17' ' ' GLY . 10.1 mt -115.22 165.2 13.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.69 HD21 ' HB3' ' A' ' 55' ' ' ALA . 61.3 t30 -99.61 122.81 50.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.03 -5.19 16.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -101.54 21.14 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.5 t -120.34 143.86 36.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.25 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -23.88 63.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.676 ' O ' HD12 ' A' ' 63' ' ' ILE . 4.4 t -75.84 -14.06 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -97.33 3.47 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -117.49 -15.02 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.737 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.6 mt -93.75 -16.16 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 59' ' ' VAL . 29.1 mt -93.05 -54.57 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -53.44 -35.62 60.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -37.22 71.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.767 ' HG2' HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -53.58 -39.94 65.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.52 HD11 HG21 ' B' ' 28' ' ' VAL . 7.2 mp -68.16 -14.61 63.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -105.32 -18.6 14.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 19.0 t-20 62.88 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 119.65 -135.04 10.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -58.56 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.32 -71.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -113.86 73.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -107.8 167.23 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -135.27 -144.14 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.249 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 m -97.38 163.63 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.21 -4.63 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.24 136.77 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.346 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -98.6 -15.05 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.446 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -136.09 170.92 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.446 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -152.37 165.1 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.957 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 8.8 mt -101.58 -177.54 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -92.57 -14.64 28.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.776 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 147.5 -35.64 1.21 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.0 mm 55.79 164.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.501 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.6 OUTLIER -69.04 137.0 53.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.789 HD11 ' HG2' ' B' ' 66' ' ' MET . 9.3 tp -80.28 3.22 21.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.6 OUTLIER -83.63 -15.4 49.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.43 -39.01 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.73 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.2 mt -57.63 138.62 18.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.411 ' HB2' ' CA ' ' B' ' 45' ' ' LYS . 0.1 OUTLIER -115.39 -24.73 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.01 161.98 41.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.643 HG11 HG23 ' B' ' 63' ' ' ILE . 25.1 t -126.52 132.36 70.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -123.05 122.64 38.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.52 HG21 HD11 ' A' ' 67' ' ' LEU . 1.2 t -111.79 117.37 54.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 90.34 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -55.19 172.55 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.5 Cg_endo -74.93 178.38 7.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -161.87 10.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.97 1.35 7.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.586 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -111.42 -50.53 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.38 122.59 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.36 24.15 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 34.8 mm-40 -126.92 154.81 43.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.486 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 56.0 m -79.46 165.01 23.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.83 75.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.746 ' O ' HD13 ' B' ' 41' ' ' ILE . 42.8 t -76.92 124.7 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.783 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.88 160.01 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.541 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -147.75 126.51 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -76.98 133.31 39.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -80.3 149.76 30.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -74.94 -1.97 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -100.22 -9.56 22.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 1.31 34.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 38.4 mt-30 -96.25 -171.21 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 110.252 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 0.4 OUTLIER -142.56 147.28 35.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.957 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.47 111.85 10.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.783 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.2 m -69.26 140.08 54.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 108.259 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.776 HD22 ' HA2' ' B' ' 17' ' ' GLY . 17.5 mt -113.07 162.26 16.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.4 ' O ' HG11 ' B' ' 59' ' ' VAL . 66.4 t30 -94.58 117.55 66.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.486 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.9 7.49 30.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.1 t -106.44 145.59 31.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.71 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.551 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -58.48 -19.47 37.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.755 ' O ' HD12 ' B' ' 63' ' ' ILE . 7.0 t -80.07 -9.64 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.27 33.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 -15.53 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.746 ' CG2' HD13 ' B' ' 20' ' ' LEU . 20.0 mt -90.99 -16.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.755 HD12 ' O ' ' B' ' 59' ' ' VAL . 22.9 mt -94.45 -56.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -54.07 -35.2 61.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' B' ' 69' ' ' ASN . 72.0 mttt -72.02 -33.43 68.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.789 ' HG2' HD11 ' B' ' 20' ' ' LEU . 0.8 OUTLIER -61.41 -38.62 87.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.804 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.16 -15.5 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.78 -29.92 11.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 65' ' ' LYS . 22.6 t-20 61.54 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 50.84 -161.93 1.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.61 -55.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.36 -52.89 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.315 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -114.2 84.65 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.71 166.86 10.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -135.16 -144.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.1 m -94.72 164.87 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 108.285 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -101.09 -5.82 25.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 135.25 23.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.26 -18.3 15.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' THR . 5.3 tp60 -132.14 168.56 17.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -153.5 165.17 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.001 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.5 mt -91.12 178.53 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -111.69 -13.17 13.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 145.65 98.83 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 18' ' ' ILE . 4.9 mm -97.45 158.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-80 -57.98 148.75 24.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.688 HD11 ' HG2' ' A' ' 66' ' ' MET . 6.6 tp -90.57 19.29 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.67 -9.5 19.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' O ' HD23 ' A' ' 44' ' ' LEU . 2.9 m-20 -108.55 -33.57 7.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.792 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -67.14 125.51 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -104.71 -25.59 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.461 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -152.21 161.5 42.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 63' ' ' ILE . 23.9 t -127.57 129.28 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 28' ' ' VAL . 17.5 tptp -120.01 120.89 37.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG11 ' CD1' ' B' ' 67' ' ' LEU . 47.4 t -109.83 116.05 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 92.87 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.455 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -59.71 171.23 0.87 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.96 19.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.13 -161.36 8.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.97 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -113.4 -50.29 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.48 117.13 29.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.68 23.97 2.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 13.1 mm-40 -127.17 148.05 50.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 3.9 m -77.7 155.29 31.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -134.98 79.12 1.77 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.581 ' C ' HD13 ' A' ' 41' ' ' ILE . 99.2 t -76.74 118.56 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.68 HD12 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -120.33 154.79 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.792 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -144.13 134.72 24.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.9 m -80.09 143.08 34.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.664 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -94.45 154.27 17.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -74.34 -6.08 46.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.43 -9.77 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.97 -12.84 31.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 50.8 mt-30 -83.04 -171.21 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -142.86 144.97 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.001 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -126.25 112.16 15.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.68 ' SG ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -66.78 137.03 56.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' HG12 ' A' ' 40' ' ' VAL . 11.0 mt -111.02 156.45 21.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -90.78 119.1 69.02 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.4 Cg_endo -75.02 -1.74 11.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.11 7.32 41.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.7 t -106.28 141.23 22.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.99 2.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -23.67 66.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.693 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.6 t -75.3 -3.21 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -104.25 3.44 32.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.28 -15.98 9.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 20.0 mt -91.29 -16.73 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 26' ' ' VAL . 43.4 mt -93.32 -56.42 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.92 -36.87 60.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HB3' HD22 ' A' ' 20' ' ' LEU . 9.1 mttt -70.41 -35.65 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.724 ' HG3' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -59.9 -39.47 85.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.746 ' HG ' HG11 ' B' ' 28' ' ' VAL . 7.9 mp -68.51 -15.67 63.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -102.1 -27.84 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.0 t-20 61.76 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 117.75 -119.52 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.16 -60.79 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.1 t -179.35 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.06 79.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.452 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.5 mp -104.78 171.64 7.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -135.56 -144.73 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.6 m -101.09 169.52 8.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.02 -2.37 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 134.96 29.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mt -103.23 -15.02 16.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.559 ' O ' HG23 ' B' ' 14' ' ' THR . 0.0 OUTLIER -131.05 171.76 12.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.559 HG23 ' O ' ' B' ' 13' ' ' GLN . 2.0 p -155.85 165.41 36.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.985 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.6 mt -108.12 132.92 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -64.92 -11.9 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.64 98.76 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 4.2 mm -94.36 162.08 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.471 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -54.63 136.75 45.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 1.013 HD11 ' HG2' ' B' ' 66' ' ' MET . 37.4 tp -86.26 10.57 14.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.38 -11.6 51.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.572 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.7 m-80 -108.09 -39.21 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.659 ' HB ' HD12 ' B' ' 20' ' ' LEU . 1.6 mt -56.66 130.08 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -22.26 10.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.72 165.05 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.957 HG11 HG12 ' B' ' 63' ' ' ILE . 53.5 t -133.54 138.17 51.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -133.11 126.95 32.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.746 HG11 ' HG ' ' A' ' 67' ' ' LEU . 69.9 t -115.87 112.58 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.16 84.51 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.418 ' OG ' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -45.34 165.16 0.17 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.02 165.48 31.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.44 -159.85 8.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -113.26 -48.55 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.622 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 124.32 51.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.4 24.41 6.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 27.8 mm-40 -130.35 152.07 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 47.5 m -72.56 165.08 25.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.65 91.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.455 HG22 HG22 ' B' ' 28' ' ' VAL . 92.8 t -90.41 119.31 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.37 110.49 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.57 146.58 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -94.32 133.48 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -79.71 150.59 30.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.522 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.72 -3.24 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.78 -9.72 22.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.51 -7.76 30.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -86.31 -171.34 3.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -144.51 144.68 31.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.985 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -132.45 112.25 11.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -71.82 140.06 49.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 108.274 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.543 ' HB3' HG22 ' B' ' 59' ' ' VAL . 26.6 mt -110.19 165.08 12.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.86 ' O ' HG21 ' B' ' 59' ' ' VAL . 50.0 t30 -100.34 118.28 61.48 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 1.33 7.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.63 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -105.84 16.39 25.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 8.9 t -117.12 142.06 29.43 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -21.78 15.45 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -19.66 57.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.86 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -71.52 -18.31 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.63 3.55 55.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -117.35 -15.8 10.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.647 HG23 HD13 ' B' ' 20' ' ' LEU . 15.0 mt -91.65 -16.83 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.957 HG12 HG11 ' B' ' 26' ' ' VAL . 32.6 mt -91.59 -57.74 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -51.57 -36.71 46.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' B' ' 69' ' ' ASN . 0.7 OUTLIER -70.07 -36.31 74.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 1.013 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.3 mmm -61.7 -40.8 96.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.891 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.29 -15.55 63.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -102.32 -25.01 13.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 65' ' ' LYS . 20.2 t30 61.68 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 136.53 119.55 1.87 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.83 -174.88 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 78.1 p -171.79 82.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' HD11 ' A' ' 7' ' ' LEU . 40.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.19 83.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.88 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -104.02 175.77 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -136.13 -144.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.37 157.82 37.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.65 -6.0 50.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' CB ' ' OE1' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.62 128.64 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 108.302 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.47 -21.2 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.652 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -128.8 172.22 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -158.5 165.32 34.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.964 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.8 mt -95.59 174.4 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -106.72 -13.29 15.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 146.23 95.36 0.17 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.785 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -88.76 162.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.462 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.8 OUTLIER -58.06 139.03 55.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.603 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.691 HD11 ' HG2' ' A' ' 66' ' ' MET . 15.9 tp -82.79 6.01 19.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -94.02 -16.77 23.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' OD1' HD21 ' A' ' 44' ' ' LEU . 1.1 m-20 -97.26 -42.29 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.677 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -59.4 132.57 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -112.89 -24.46 9.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.254 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.94 161.14 42.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 66' ' ' MET . 28.7 t -129.95 132.59 65.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -123.21 122.07 37.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.964 HG11 ' CD1' ' B' ' 67' ' ' LEU . 54.4 t -111.75 115.15 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.53 94.84 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.477 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -55.25 175.66 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 179.23 6.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.41 -159.85 8.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.696 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.96 0.76 8.49 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.88 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.73 -54.25 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.609 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 52.7 t -106.0 118.08 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 23.89 3.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.7 mp0 -133.41 155.55 49.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 63.4 m -77.06 163.04 27.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 11' ' ' CYS . 61.7 mm-40 -144.65 78.16 1.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG11 HD11 ' A' ' 63' ' ' ILE . 54.2 t -74.98 127.54 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.764 HD12 ' SG ' ' A' ' 51' ' ' CYS . 1.4 mm -126.05 160.15 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -149.14 129.83 14.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -82.06 128.15 33.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -74.76 148.9 40.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' CG ' ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -74.13 -3.21 28.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -98.8 -10.08 23.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.68 -9.48 30.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 24.1 mt-30 -86.4 -172.58 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 1.4 mttt -140.64 149.3 42.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.964 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.92 112.61 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.764 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -72.01 137.82 47.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.9 158.31 19.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.527 HD21 ' HB3' ' A' ' 55' ' ' ALA . 57.7 t30 -98.85 121.34 56.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.97 1.77 7.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -107.02 18.91 21.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 t -117.24 142.64 30.47 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -29.88 7.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -25.66 53.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.785 ' O ' HD12 ' A' ' 63' ' ' ILE . 20.9 t -71.86 -10.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -101.13 3.66 41.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -117.45 -16.19 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.552 ' O ' HD13 ' A' ' 20' ' ' LEU . 13.9 mt -91.6 -16.84 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.904 HD11 HG11 ' A' ' 40' ' ' VAL . 15.9 mt -93.98 -56.16 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -54.4 -35.1 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.3 mtpt -71.69 -33.91 69.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.691 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tmm? -61.11 -38.62 86.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 63' ' ' ILE . 7.8 mp -69.73 -15.55 63.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.7 mmtt -102.78 -27.14 12.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' LYS . 28.0 t-20 62.12 -77.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 67.16 108.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -79.61 -173.18 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.9 p 173.24 72.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.046 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.542 0.21 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -103.17 76.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.5 mp -108.84 167.7 9.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -135.1 -144.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 30.1 m -97.2 156.44 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 108.272 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.79 -3.56 58.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 126.62 17.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mt -89.5 -18.02 27.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.593 ' O ' HG23 ' B' ' 14' ' ' THR . 5.7 tt0 -135.13 173.55 11.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.593 HG23 ' O ' ' B' ' 13' ' ' GLN . 3.8 p -157.41 165.18 36.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.753 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 24.5 mt -104.9 177.19 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 10.8 tt0 -98.91 -8.18 26.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.705 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 125.02 100.97 1.32 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 6.4 mt -86.27 160.09 3.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.442 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.3 OUTLIER -52.55 141.93 19.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.705 HD13 ' HG2' ' B' ' 66' ' ' MET . 11.9 tp -78.55 0.44 26.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -78.96 -15.56 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.7 -55.79 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -46.99 129.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -19.16 13.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.32 157.7 30.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.939 HG11 HG12 ' B' ' 63' ' ' ILE . 42.4 t -130.87 135.56 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.498 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -130.43 127.13 38.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 40' ' ' VAL . 14.0 t -113.25 121.71 65.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.01 87.26 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.529 ' HB2' ' HE1' ' A' ' 66' ' ' MET . 0.5 OUTLIER -45.65 170.36 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.42 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.98 176.37 10.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -162.33 10.51 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.588 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.588 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -112.37 -49.69 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 120.07 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 108.321 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.89 24.31 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.42 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 23.1 mm-40 -125.77 154.88 41.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 16.7 m -80.18 160.54 25.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.57 109.85 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.961 HG22 HG22 ' B' ' 28' ' ' VAL . 77.6 t -106.97 117.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.97 115.82 47.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.85 146.67 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.5 m -95.34 131.38 41.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.485 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.3 OUTLIER -76.71 150.03 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.485 ' H ' HD23 ' B' ' 44' ' ' LEU . 5.3 tppt? -74.66 -4.46 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.21 -8.86 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.62 -8.02 32.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 45.1 mt-30 -85.9 -172.35 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.258 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' B' ' 48' ' ' GLN . 1.0 OUTLIER -142.29 145.04 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.753 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -135.41 113.51 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -75.62 139.66 42.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 108.265 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.705 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.1 mt -110.21 165.27 11.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.895 ' O ' HG21 ' B' ' 59' ' ' VAL . 59.4 t30 -96.33 121.09 61.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.5 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.95 0.75 8.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.69 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -109.17 21.1 17.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.505 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 9.5 t -118.28 144.06 34.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -20.86 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.895 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.31 -19.72 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.505 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.1 OUTLIER -94.32 3.52 55.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -117.19 -16.15 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.447 HD11 ' HA3' ' B' ' 17' ' ' GLY . 16.7 mt -91.45 -16.87 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.939 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -92.18 -57.3 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -52.65 -35.41 54.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' B' ' 69' ' ' ASN . 5.0 mmtt -75.88 -29.41 58.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.705 ' HG2' HD13 ' B' ' 20' ' ' LEU . 2.8 mmm -69.65 -36.89 76.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.964 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -74.34 -15.32 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' B' ' 70' ' ' GLY . 1.5 mtpt -105.82 -19.97 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.7 t-20 62.16 -77.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 167.98 159.31 13.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -150.5 -68.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 10.6 t 47.32 80.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -98.98 74.06 1.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.0 mp -107.35 163.88 12.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -134.74 -145.25 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.34 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.5 m -94.91 142.71 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 108.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -4.47 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 128.4 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -97.08 -17.91 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -128.02 173.24 10.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.0 p -159.44 165.27 33.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.444 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD13 HG13 ' A' ' 18' ' ' ILE . 9.1 mt -110.82 137.75 48.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -68.31 -13.91 62.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.07 100.25 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.84 HG13 HD13 ' A' ' 15' ' ' LEU . 3.4 mm -93.56 159.21 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.42 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -51.88 132.8 32.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.569 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.89 HD23 ' CG2' ' A' ' 62' ' ' ILE . 1.5 tm? -87.51 12.8 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -91.71 -19.76 22.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.536 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 m-20 -98.35 -36.88 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.697 ' HB ' HD22 ' A' ' 20' ' ' LEU . 2.1 mt -55.44 131.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 -24.7 8.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.75 163.71 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.517 HG11 HG12 ' A' ' 63' ' ' ILE . 33.0 t -130.32 132.93 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ILE . 20.0 tptt -129.46 121.54 27.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.751 HG11 ' CD1' ' B' ' 67' ' ' LEU . 9.7 t -115.73 120.94 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -122.26 87.33 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.3 OUTLIER -47.02 175.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.5 Cg_endo -75.0 170.55 20.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.14 -157.41 7.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.601 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.5 Cg_endo -74.93 0.92 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -116.69 -58.73 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.553 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 41.6 t -100.47 115.12 29.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' H ' ' NE2' ' A' ' 37' ' ' GLN . . . -92.58 24.71 3.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.462 ' NE2' ' H ' ' A' ' 36' ' ' ALA . 2.9 mp0 -136.33 152.45 50.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 20.9 m -74.26 163.96 27.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.1 77.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.1 t -70.25 132.44 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 2.0 mp -129.45 118.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.552 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -105.76 134.54 48.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -83.51 140.74 32.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -89.56 150.21 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.59 -4.71 35.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -100.04 -7.8 24.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.71 -10.57 35.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 111.042 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -81.4 -172.74 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -145.38 144.67 30.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.784 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.06 110.65 10.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.13 140.38 48.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 108.276 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.726 ' HB3' HG22 ' A' ' 59' ' ' VAL . 39.6 mt -106.37 166.34 10.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.803 ' O ' HG21 ' A' ' 59' ' ' VAL . 41.4 t30 -96.03 110.18 50.59 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.98 46.4 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.99 27.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.509 ' O ' ' CD ' ' A' ' 60' ' ' LYS . 31.0 t -127.26 146.74 59.2 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.86 10.48 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.47 1.773 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.517 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -99.37 -21.38 16.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.803 HG21 ' O ' ' A' ' 53' ' ' ASN . 2.6 t -73.31 -22.95 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -94.33 3.49 55.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -116.33 -16.21 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.89 ' CG2' HD23 ' A' ' 20' ' ' LEU . 11.8 mt -94.15 -15.76 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 59' ' ' VAL . 15.8 mt -94.14 -55.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 73.2 mt-10 -51.38 -34.55 34.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -76.54 -34.45 58.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.86 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -59.05 -36.27 74.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.961 ' CD1' HG11 ' B' ' 28' ' ' VAL . 8.5 mp -69.89 -15.3 63.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 70' ' ' GLY . 1.9 ttpt -104.05 -31.28 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t30 61.27 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 114.71 137.44 6.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -80.9 -172.03 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.01 78.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.88 73.18 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.7 mp -105.67 168.74 8.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -135.79 -144.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.484 ' CB ' ' OE1' ' B' ' 39' ' ' GLU . 78.4 m -102.22 164.64 11.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -4.78 27.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.18 137.41 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 108.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mt -103.7 -15.03 15.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.414 ' O ' HG23 ' B' ' 14' ' ' THR . 13.2 tt0 -135.19 168.21 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 0.9 OUTLIER -151.57 164.89 35.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.437 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.912 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 5.5 mt -96.79 -175.3 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -106.26 -13.26 15.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.32 98.8 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.546 HD12 HD13 ' B' ' 15' ' ' LEU . 7.9 mt -91.47 163.48 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.51 ' CG ' ' HG2' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -52.52 139.16 26.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.654 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.6 tm? -87.75 12.75 12.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.51 ' HG2' ' CG ' ' B' ' 19' ' ' HIS . 0.2 OUTLIER -92.2 -24.02 19.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.431 ' HB3' HD21 ' B' ' 44' ' ' LEU . 3.5 m-80 -92.68 -33.57 14.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.797 HG12 ' HB1' ' B' ' 42' ' ' ALA . 1.3 mt -59.93 133.75 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.42 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -113.34 -23.41 9.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.2 165.46 33.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.544 HG11 HG12 ' B' ' 63' ' ' ILE . 29.7 t -131.19 140.49 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.432 ' CE ' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tptt -133.57 123.22 24.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.961 HG11 ' CD1' ' A' ' 67' ' ' LEU . 15.3 t -116.94 103.37 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 92.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.492 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -61.77 171.46 1.43 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.995 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.446 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -74.99 -173.19 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.35 -158.79 17.4 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.608 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.608 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.23 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.73 121.9 42.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.18 24.17 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.446 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.3 mt-30 -129.93 159.5 36.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.493 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 36.6 m -86.61 164.48 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.484 ' OE1' ' CB ' ' B' ' 9' ' ' CYS . 0.5 OUTLIER -147.3 74.03 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.693 ' O ' HD13 ' B' ' 41' ' ' ILE . 57.2 t -72.71 123.75 28.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.76 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -125.82 151.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.797 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -138.68 126.3 22.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 22.0 m -79.3 141.13 37.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.562 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -90.37 151.42 21.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.562 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -74.29 -4.78 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.12 -8.59 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.74 -10.11 34.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -82.92 -174.18 5.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.786 . . . . 0.0 110.295 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -146.12 144.62 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.912 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -129.63 110.74 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.76 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.86 137.0 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.575 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.4 mt -110.96 161.49 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.542 HD21 ' HB3' ' B' ' 55' ' ' ALA . 63.1 t30 -93.75 121.37 64.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.493 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.0 -3.97 14.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.542 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -102.65 16.37 26.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.2 t -114.03 141.24 25.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -28.02 9.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -24.83 60.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.724 ' O ' HD12 ' B' ' 63' ' ' ILE . 3.7 t -73.64 -13.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.48 ' HE3' HD23 ' A' ' 67' ' ' LEU . 6.5 mmmm -98.21 2.84 48.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -117.42 -15.47 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.828 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.4 mt -92.22 -16.51 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.724 HD12 ' O ' ' B' ' 59' ' ' VAL . 19.6 mt -93.55 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -52.74 -35.78 56.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' B' ' 69' ' ' ASN . 45.2 mttt -71.32 -35.67 71.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.805 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.2 mmm -60.21 -38.9 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.751 ' CD1' HG11 ' A' ' 28' ' ' VAL . 7.7 mp -69.99 -15.53 63.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.29 -23.86 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' B' ' 65' ' ' LYS . 17.5 t30 62.3 -77.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 169.62 140.47 2.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -69.14 -172.6 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.4 p 176.94 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 61.4 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 5' ' ' THR . 5.0 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.36 86.3 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -103.74 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -135.93 -143.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.5 m -72.53 156.41 39.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 108.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -91.75 -4.7 54.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.99 120.96 12.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.64 -14.79 29.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -126.61 172.64 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.718 HG23 ' O ' ' A' ' 13' ' ' GLN . 2.4 p -160.86 165.85 29.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.037 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.8 mt -110.24 150.45 28.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.3 tm0? -81.94 -15.03 55.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.38 101.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.571 1.169 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -97.48 155.24 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 139.29 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.901 HD11 ' HG2' ' A' ' 66' ' ' MET . 41.7 tp -86.6 11.57 12.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -91.26 -19.67 22.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.539 ' CG ' HD21 ' A' ' 44' ' ' LEU . 5.2 m-20 -96.75 -42.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 mt -55.81 128.12 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -19.29 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.304 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.13 159.45 41.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.691 HG23 ' HG3' ' A' ' 66' ' ' MET . 39.7 t -129.92 135.53 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.5 OUTLIER -134.02 127.37 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.89 HG11 ' HG ' ' B' ' 67' ' ' LEU . 72.1 t -116.52 108.89 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 86.42 2.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.467 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -46.09 170.48 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -74.99 162.6 36.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.09 -156.87 7.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.697 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.4 Cg_endo -74.89 -0.65 10.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.885 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -117.28 -52.99 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.645 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.1 t -99.05 122.05 41.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.3 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.59 24.34 9.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 5.8 mp0 -140.46 157.24 45.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.482 ' HB ' ' CB ' ' A' ' 54' ' ' PRO . 75.9 m -70.53 165.27 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 41' ' ' ILE . 69.4 mm-40 -153.19 76.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 63' ' ' ILE . 58.1 t -70.65 126.3 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 39' ' ' GLU . 1.7 mp -129.65 105.8 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.56 139.47 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.1 m -87.34 132.21 34.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.435 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -78.81 150.0 32.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.37 -4.0 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.46 -9.63 24.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.54 -10.35 30.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -85.23 -172.18 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.89 147.36 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.037 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -136.52 113.38 10.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.535 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -73.39 140.21 46.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 108.27 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 59' ' ' VAL . 32.1 mt -106.73 160.44 15.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' HG11 ' A' ' 59' ' ' VAL . 41.4 t30 -88.67 112.94 53.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.482 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.96 49.09 2.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 30.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -123.2 149.66 58.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.81 8.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.631 ' HG3' HD11 ' A' ' 62' ' ' ILE . 24.5 tpp -83.05 -24.41 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.774 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 t -69.76 -16.13 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 4.26 44.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -117.97 -15.87 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.631 HD11 ' HG3' ' A' ' 58' ' ' MET . 19.0 mt -93.24 -16.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 59' ' ' VAL . 18.1 mt -93.94 -56.14 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -52.23 -36.76 53.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -69.6 -36.94 76.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.901 ' HG2' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -57.25 -41.47 79.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.697 HD12 HG11 ' B' ' 28' ' ' VAL . 7.4 mp -66.73 -15.93 63.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -101.07 -30.52 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.4 t30 61.82 -78.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 166.07 -130.31 2.12 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -59.07 -171.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -43.44 -64.78 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.054 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.481 ' HB ' HD11 ' B' ' 7' ' ' LEU . 1.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.81 85.88 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.886 HD23 ' CG ' ' B' ' 34' ' ' HIS . 0.0 OUTLIER -104.68 175.73 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -135.72 -143.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 66.1 m -77.05 164.09 26.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.59 -5.55 16.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 135.22 24.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.26 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.64 -15.13 15.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -134.64 165.23 25.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -151.37 165.28 34.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.042 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.8 mt -106.4 147.27 29.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.03 -12.17 60.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.19 103.25 0.89 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.786 HD12 HD13 ' B' ' 15' ' ' LEU . 11.3 mt -82.72 161.01 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.457 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 2.2 t-160 -53.09 148.49 8.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' B' ' 66' ' ' MET . 8.5 tp -88.43 13.41 11.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -99.42 -4.39 31.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -114.86 -39.35 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.777 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.5 OUTLIER -60.33 129.81 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.425 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.14 -25.06 9.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.428 ' CB ' ' HB ' ' B' ' 43' ' ' THR . 0.1 OUTLIER -152.62 163.02 40.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.144 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.773 HG11 HG12 ' B' ' 63' ' ' ILE . 68.4 t -128.41 139.3 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 10.1 tptm -131.51 120.44 22.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 67' ' ' LEU . 14.0 t -111.39 114.0 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -113.92 79.65 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.425 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -44.52 169.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.434 ' CB ' ' O ' ' B' ' 35' ' ' CYS . 18.3 Cg_endo -74.99 176.88 9.34 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.51 -158.11 8.42 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.552 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.616 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.02 1.52 7.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.77 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.886 ' CG ' HD23 ' B' ' 7' ' ' LEU . 1.4 p-80 -114.12 -52.96 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.434 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 42.3 t -111.81 120.95 43.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.8 24.44 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 28.5 mm-40 -133.35 152.74 51.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.465 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 7.2 m -76.7 159.54 30.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -146.35 83.28 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -77.54 128.26 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 27' ' ' LYS . 1.5 mt -124.51 109.02 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.777 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -96.92 128.18 43.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.428 ' HB ' ' CB ' ' B' ' 25' ' ' SER . 19.9 m -79.6 140.94 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.449 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.555 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -91.18 151.06 21.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.555 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -73.87 -5.17 39.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.46 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -97.84 -8.61 27.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.442 ' O ' ' CE ' ' B' ' 49' ' ' LYS . . . 107.98 -9.65 36.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 64.9 mt-30 -84.25 -175.19 5.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' B' ' 47' ' ' GLY . 0.0 OUTLIER -143.47 144.3 31.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 1.042 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -133.59 111.53 10.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -62.81 138.02 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.506 ' CD1' ' HB2' ' B' ' 42' ' ' ALA . 22.9 mt -110.92 158.5 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.529 ' O ' HG21 ' B' ' 59' ' ' VAL . 65.9 t30 -91.46 117.55 67.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.465 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.3 Cg_endo -74.97 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.4 27.37 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -122.74 144.81 43.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.05 7.58 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -25.29 60.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.71 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.6 t -74.15 -6.19 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -101.27 3.33 40.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 0.0 OUTLIER -119.05 -15.72 9.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.47 -16.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.773 HG12 HG11 ' B' ' 26' ' ' VAL . 15.0 mt -95.62 -56.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -54.99 -32.44 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' B' ' 20' ' ' LEU . 23.9 mmtp -76.04 -32.57 59.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.617 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.4 mmm -65.69 -36.3 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.89 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.6 mp -72.07 -15.46 62.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -103.56 -29.51 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 65' ' ' LYS . 10.7 t-20 61.57 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -146.92 143.54 11.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -172.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.8 86.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.16 86.52 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.835 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -104.61 177.06 4.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.54 -143.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 69.5 m -77.37 141.45 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -79.67 0.04 31.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -124.2 114.58 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.06 -26.05 29.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' THR . 2.1 tm0? -136.17 169.31 17.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.522 ' O ' HD23 ' A' ' 15' ' ' LEU . 5.3 p -155.07 159.07 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.462 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.765 HD12 ' CD1' ' A' ' 18' ' ' ILE . 11.8 mt -114.67 172.25 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -116.08 70.84 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' ' 62' ' ' ILE . . . 86.49 101.39 0.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.765 ' CD1' HD12 ' A' ' 15' ' ' LEU . 94.3 mt -101.83 153.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.505 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -62.39 138.72 58.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD13 ' HG2' ' A' ' 66' ' ' MET . 11.7 tp -88.93 16.87 6.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -96.7 -18.36 19.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 44' ' ' LEU . 6.3 m-80 -104.64 -42.86 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.6 mt -54.5 129.38 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -114.15 -21.93 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -151.57 160.0 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 63' ' ' ILE . 31.8 t -128.69 133.83 65.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HG2' ' CG ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -126.69 123.71 38.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG21 HD11 ' B' ' 67' ' ' LEU . 0.4 OUTLIER -112.72 121.09 64.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.06 95.22 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.535 ' H ' ' HE1' ' B' ' 66' ' ' MET . 0.1 OUTLIER -52.85 175.57 0.11 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.2 Cg_endo -75.06 174.11 13.35 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.5 -161.53 9.34 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.835 ' CG ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.04 -51.2 2.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.565 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -116.46 124.49 50.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.05 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 1.4 mt-30 -127.97 160.07 33.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.521 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 26.4 m -76.2 162.0 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -146.48 92.27 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 63' ' ' ILE . 89.1 t -89.15 127.3 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.9 mp -129.8 113.91 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.17 138.0 41.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 16.0 m -86.97 141.48 28.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -89.31 149.57 22.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.77 -4.7 36.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -97.49 -8.72 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.21 0.23 38.15 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 31.5 mt-30 -94.86 -171.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.737 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 3.9 mptt -143.45 145.96 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' HD13 ' A' ' 18' ' ' ILE . . . -130.65 110.9 11.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 8.1 m -68.11 134.8 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 108.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 18' ' ' ILE . 29.1 mt -110.68 163.81 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.562 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 30.9 t30 -100.71 122.39 49.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -75.02 -5.45 16.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.562 ' HB3' ' ND2' ' A' ' 53' ' ' ASN . . . -99.43 12.0 37.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -108.29 142.26 24.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -37.35 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tpp -68.99 -25.87 64.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 63' ' ' ILE . 14.1 t -70.36 -10.34 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 3.92 34.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -116.83 -15.75 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.469 ' CD1' ' HA2' ' A' ' 17' ' ' GLY . 13.5 mt -93.88 -16.82 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 59' ' ' VAL . 16.7 mt -94.12 -53.63 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.77 -34.73 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' ASN . 6.5 mttm -74.18 -30.88 62.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.483 ' HG2' HD13 ' A' ' 20' ' ' LEU . 1.3 mmm -61.86 -37.39 84.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' B' ' 28' ' ' VAL . 9.0 mp -70.01 -15.41 63.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.1 ttpp -103.29 -30.21 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' LYS . 21.1 t30 61.97 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 130.07 167.6 12.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.093 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -52.3 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 0.734 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 t 48.37 86.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.2 p30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -107.22 69.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.99 168.3 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 mtt85 -135.98 -143.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 16.8 m -98.95 163.84 12.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -3.37 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.92 125.88 15.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mt -91.02 -16.66 27.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.488 ' O ' HG23 ' B' ' 14' ' ' THR . 0.1 OUTLIER -134.67 172.04 13.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.488 HG23 ' O ' ' B' ' 13' ' ' GLN . 11.5 p -154.97 165.6 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.886 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.7 mt -101.74 170.52 8.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.431 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.6 tm0? -92.55 -10.1 38.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.442 ' CA ' ' CD1' ' B' ' 62' ' ' ILE . . . 126.06 101.64 1.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.851 HD12 HD13 ' B' ' 15' ' ' LEU . 4.0 mt -88.89 162.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 0.734 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.9 OUTLIER -52.02 146.89 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.875 HD23 HG23 ' B' ' 62' ' ' ILE . 0.2 OUTLIER -89.23 16.47 7.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' B' ' 21' ' ' LYS . 9.7 tppt? -98.23 -5.59 32.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.56 -50.26 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.4 135.82 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -114.7 -25.56 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.72 154.62 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.963 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.937 HG11 HG12 ' B' ' 63' ' ' ILE . 41.8 t -129.56 132.92 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.473 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -126.35 125.0 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 67' ' ' LEU . 73.1 t -112.55 121.04 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 92.58 3.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.465 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -51.06 173.78 0.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -75.01 175.97 10.53 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.456 1.766 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.4 -161.77 9.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.62 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -74.96 1.53 7.61 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.62 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.47 -52.32 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.07 122.47 47.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 108.303 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.6 23.68 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.419 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 7.4 mt-30 -127.36 159.72 33.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.47 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 3.5 m -85.34 157.1 20.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.79 102.18 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.5 t -97.08 121.33 47.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.18 117.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.53 144.84 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 17.4 m -93.83 131.26 39.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.444 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -76.63 148.44 36.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.471 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.96 -3.79 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.638 ' HB3' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -99.13 -8.86 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.68 -3.92 32.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' OE1' ' ND2' ' B' ' 46' ' ' ASN . 52.0 mt-30 -89.51 -172.08 3.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 147.98 35.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.886 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -141.03 117.52 10.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.679 ' O ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -78.99 141.92 37.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.277 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.541 ' HB3' HG22 ' B' ' 59' ' ' VAL . 20.2 mt -113.39 165.11 12.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.609 ' O ' HG21 ' B' ' 59' ' ' VAL . 60.7 t30 -98.57 119.87 60.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.47 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.4 Cg_endo -74.97 -2.81 13.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.482 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -106.53 19.86 19.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' B' ' 57' ' ' PRO . 17.5 t -114.05 144.01 30.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 56' ' ' SER . 18.4 Cg_endo -74.96 -32.4 5.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.9 tpp -72.46 -24.68 61.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.609 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.3 t -70.13 -11.98 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.7 3.36 55.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.16 -15.1 9.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.875 HG23 HD23 ' B' ' 20' ' ' LEU . 18.4 mt -90.62 -16.92 8.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.937 HG12 HG11 ' B' ' 26' ' ' VAL . 15.8 mt -94.64 -56.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -54.09 -35.51 62.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 69' ' ' ASN . 39.9 mttt -71.16 -33.72 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.692 ' HG3' HG23 ' B' ' 26' ' ' VAL . 1.2 tmm? -60.57 -43.14 97.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.555 HD11 HG21 ' A' ' 28' ' ' VAL . 6.8 mp -66.73 -15.52 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -101.52 -28.11 12.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 65' ' ' LYS . 15.7 t30 61.8 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -53.48 164.33 2.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.54 -63.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -170.92 95.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -114.59 85.58 2.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.2 mp -104.45 163.43 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -135.47 -144.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 56.6 m -93.68 150.78 20.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -5.58 47.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.43 129.77 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -91.66 -19.2 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -135.05 172.21 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 13' ' ' GLN . 16.2 p -156.52 165.32 36.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.693 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 4.1 mt -96.79 172.14 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 12.1 tt0 -101.75 -7.5 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.1 97.64 0.26 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.637 HG13 HD13 ' A' ' 15' ' ' LEU . 6.5 mm -88.05 154.55 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -49.49 137.4 15.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.575 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 66' ' ' MET . 55.2 tp -81.93 4.56 22.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HG2' ' CD2' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -87.69 -15.54 36.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.599 ' CG ' HD21 ' A' ' 44' ' ' LEU . 8.4 m-20 -101.02 -49.86 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 HG12 ' HB1' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -51.69 127.49 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 -18.69 11.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.434 ' HA ' ' CE ' ' A' ' 66' ' ' MET . 0.4 OUTLIER -152.8 161.32 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.668 HG23 ' HG3' ' A' ' 66' ' ' MET . 55.2 t -132.01 142.51 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -141.23 127.21 19.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG11 HD12 ' B' ' 67' ' ' LEU . 18.9 t -115.36 115.27 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.09 88.02 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.474 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.6 OUTLIER -48.13 172.48 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.5 Cg_endo -74.98 176.02 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.554 1.818 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -149.39 -157.54 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -75.04 1.84 7.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.8 p-80 -117.17 -56.31 2.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.617 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 45.0 t -102.33 117.97 35.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.29 24.6 3.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 37.6 mm-40 -135.9 160.51 38.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 30' ' ' SER . 2.7 m -89.07 155.11 19.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' OE1' ' O ' ' A' ' 37' ' ' GLN . 0.4 OUTLIER -144.35 89.43 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.791 ' C ' HD13 ' A' ' 41' ' ' ILE . 92.1 t -77.31 122.73 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.847 HD12 ' SG ' ' A' ' 51' ' ' CYS . 2.4 mm -118.95 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.573 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -118.61 139.33 51.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -90.29 135.94 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -83.58 150.73 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.526 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.37 -4.2 34.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.16 -9.44 23.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.52 -7.22 31.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.36 -171.79 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -145.04 144.85 31.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.693 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -129.88 111.73 12.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.847 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.3 m -69.6 135.57 50.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -114.33 165.98 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.653 ' ND2' ' HB3' ' A' ' 55' ' ' ALA . 50.6 t30 -108.37 120.92 45.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.541 1.811 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' ND2' ' A' ' 53' ' ' ASN . . . -98.35 1.08 46.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -103.21 145.32 30.36 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.09 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.438 ' HG3' HD11 ' A' ' 62' ' ' ILE . 30.6 tpp -59.92 -25.81 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.691 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.9 t -72.05 -14.71 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -95.83 4.11 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -116.22 -15.23 11.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HG3' ' A' ' 58' ' ' MET . 13.6 mt -94.75 -16.56 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 40' ' ' VAL . 16.6 mt -94.01 -53.43 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 70.4 mt-10 -55.8 -35.67 66.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASN . 4.7 mttm -72.13 -33.76 68.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.668 ' HG3' HG23 ' A' ' 26' ' ' VAL . 2.1 mmm -60.45 -38.21 83.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.745 HD12 HG11 ' B' ' 28' ' ' VAL . 8.7 mp -68.98 -15.61 63.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -102.7 -31.48 10.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LYS . 16.9 t-20 61.52 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 134.46 -114.76 1.34 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -75.88 -60.9 2.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.86 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.491 HG23 ' N ' ' B' ' 6' ' ' GLU . 4.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' HG23 ' B' ' 5' ' ' THR . 3.7 tp10 -112.84 84.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -108.0 168.07 9.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.2 -144.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 33.5 m -96.84 164.99 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.86 8.02 32.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -87.36 -25.98 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.613 ' O ' HG23 ' B' ' 14' ' ' THR . 2.7 tt0 -135.91 178.95 6.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.613 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.4 p -157.18 160.57 38.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.016 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 2.6 mt -110.69 -161.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.516 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 16.5 tt0 -112.65 0.59 15.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.626 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 136.62 -39.7 1.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.597 HG13 HD13 ' B' ' 15' ' ' LEU . 2.7 mm 55.88 165.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -63.78 146.05 54.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.613 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.843 ' HB2' HG23 ' B' ' 62' ' ' ILE . 12.1 tp -91.37 8.97 33.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.84 27.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.43 ' HB3' HD21 ' B' ' 44' ' ' LEU . 5.4 m-20 -97.69 -39.34 9.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.622 HG12 ' HB1' ' B' ' 42' ' ' ALA . 3.1 mt -57.58 129.98 20.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.483 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -112.34 -25.49 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.02 163.44 39.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.419 HG11 HG12 ' B' ' 63' ' ' ILE . 46.9 t -126.45 137.3 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.486 ' HD3' ' CG ' ' A' ' 27' ' ' LYS . 7.8 tptm -126.27 118.46 25.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.745 HG11 HD12 ' A' ' 67' ' ' LEU . 4.0 t -110.88 114.8 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' B' ' 30' ' ' SER . 0.2 OUTLIER -117.69 83.23 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.482 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 0.9 OUTLIER -46.91 174.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.441 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.1 Cg_endo -75.06 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.72 -158.15 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.607 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.79 7.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.607 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -113.26 -55.64 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.639 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.77 124.96 52.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.54 24.06 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 1.4 mp0 -132.02 157.61 43.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.409 ' C ' ' OE1' ' B' ' 39' ' ' GLU . 25.6 m -83.49 162.97 20.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' B' ' 38' ' ' THR . 2.0 pm0 -156.22 87.96 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' B' ' 54' ' ' PRO . 23.0 t -78.24 133.63 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' B' ' 27' ' ' LYS . 2.1 mp -125.67 110.01 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.622 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -94.64 129.49 41.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 20.2 m -82.49 141.95 32.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.572 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -92.33 151.53 20.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.572 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.75 -4.89 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.05 -8.78 24.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.06 -10.82 34.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -82.54 -173.04 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mttt -145.51 143.95 30.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 1.016 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -128.27 110.68 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' B' ' 15' ' ' LEU . 7.6 m -63.32 134.96 56.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.626 HD22 ' HA2' ' B' ' 17' ' ' GLY . 23.2 mt -110.9 165.86 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.448 ' H ' HG21 ' B' ' 59' ' ' VAL . 29.2 t30 -97.95 109.45 51.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.467 ' HB3' ' CG2' ' B' ' 40' ' ' VAL . 18.5 Cg_endo -74.98 47.69 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.003 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.59 29.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -123.7 147.88 54.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.47 ' O ' ' CE ' ' B' ' 60' ' ' LYS . 18.2 Cg_endo -75.04 -13.57 21.29 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.639 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -96.97 -22.68 16.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.707 ' O ' HD12 ' B' ' 63' ' ' ILE . 10.7 t -85.35 -4.49 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -108.18 2.51 22.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.523 ' CG ' ' HD2' ' B' ' 60' ' ' LYS . 8.2 mttp -115.0 -17.73 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' B' ' 20' ' ' LEU . 13.5 mt -89.88 -18.03 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.707 HD12 ' O ' ' B' ' 59' ' ' VAL . 41.9 mt -89.76 -59.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -48.72 -37.84 19.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -68.87 -38.02 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.605 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -57.3 -38.58 74.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.954 HD12 HG11 ' A' ' 28' ' ' VAL . 4.7 mp -68.42 -15.92 63.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -101.42 -28.3 12.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' B' ' 68' ' ' LYS . 16.7 t30 61.96 -77.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 49.73 -151.9 3.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' B' ' 72' ' ' SER . 1.4 mtmt -72.71 -69.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' B' ' 71' ' ' LYS . 0.1 OUTLIER 81.47 -52.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.087 . . . . 0.0 110.038 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.629 ' CG2' HD11 ' A' ' 7' ' ' LEU . 15.9 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.45 84.92 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.629 HD11 ' CG2' ' A' ' 5' ' ' THR . 3.8 mp -104.98 163.58 12.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.89 -145.49 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 m -95.48 162.46 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 108.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -94.38 -4.64 48.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.35 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -141.19 126.62 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.304 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -98.4 -14.03 20.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' THR . 9.9 tt0 -132.43 168.62 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.1 p -153.38 165.11 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.966 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 3.6 mt -109.72 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -79.09 -14.86 58.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.971 ' HA2' HD22 ' A' ' 52' ' ' LEU . . . 138.47 -31.07 2.45 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.931 HD12 HD13 ' A' ' 15' ' ' LEU . 10.2 mt 55.85 164.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -54.38 137.64 41.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 20' ' ' LEU . 1.9 tm? -86.6 11.64 12.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 7.8 mttm -90.93 -23.13 20.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.1 m-20 -93.68 -34.34 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.714 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.6 mt -57.77 134.19 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -25.51 7.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.427 ' CB ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -152.51 161.92 41.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HG3' ' A' ' 66' ' ' MET . 47.3 t -129.41 137.94 55.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.79 126.82 27.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG11 ' HG ' ' B' ' 67' ' ' LEU . 61.8 t -120.6 117.95 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 100.75 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.473 ' HB3' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -59.15 170.35 0.94 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.2 Cg_endo -75.02 171.49 18.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.92 -158.54 7.77 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 0.53 8.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.9 p-80 -118.43 -56.87 2.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 44.8 t -100.18 113.59 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 108.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.64 24.27 3.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.4 mp0 -131.51 157.44 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 18.3 m -78.73 160.74 27.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -146.31 102.05 3.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.55 HG11 HD11 ' A' ' 63' ' ' ILE . 98.6 t -100.9 122.32 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD11 ' CD ' ' A' ' 39' ' ' GLU . 1.1 mp -124.73 107.93 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -95.62 133.13 40.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CB ' ' A' ' 25' ' ' SER . 20.7 m -82.02 141.46 33.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -90.32 150.77 21.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.544 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.46 -3.67 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -99.4 -8.19 25.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.57 -2.94 36.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 52.6 mt-30 -90.68 -173.79 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -145.03 144.41 30.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.966 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -133.48 113.66 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.62 140.23 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.305 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.971 HD22 ' HA2' ' A' ' 17' ' ' GLY . 16.4 mt -112.46 165.38 12.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.491 ' O ' HG11 ' A' ' 59' ' ' VAL . 59.2 t30 -100.77 116.45 64.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.3 Cg_endo -74.94 2.0 7.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.0 22.23 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.446 ' HB3' ' CG2' ' A' ' 59' ' ' VAL . 11.6 t -118.07 141.72 29.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.64 11.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.547 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -84.16 -17.5 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.711 ' O ' HD12 ' A' ' 63' ' ' ILE . 25.5 t -81.02 -13.25 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -99.75 3.92 45.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -117.75 -15.66 10.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.812 ' CG2' HD23 ' A' ' 20' ' ' LEU . 14.3 mt -92.78 -17.26 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 59' ' ' VAL . 19.7 mt -92.55 -56.36 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -51.21 -36.76 43.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.263 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 69' ' ' ASN . 1.0 OUTLIER -73.24 -34.32 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.873 ' HG2' HD21 ' A' ' 20' ' ' LEU . 1.1 tmm? -58.55 -40.2 82.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' CD1' HG11 ' B' ' 28' ' ' VAL . 7.0 mp -67.12 -16.06 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -101.78 -29.97 11.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 65' ' ' LYS . 13.9 t-20 61.18 -78.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 139.81 -146.67 18.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 -72.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 t 65.27 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -99.85 68.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.408 ' C ' ' HG2' ' B' ' 8' ' ' ARG . 5.6 mp -105.3 167.75 9.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' B' ' 7' ' ' LEU . 0.4 OUTLIER -134.76 -141.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.403 ' SG ' ' OE1' ' B' ' 39' ' ' GLU . 34.0 m -99.9 169.35 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 108.293 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.39 -3.43 28.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.5 138.06 30.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 108.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -107.08 -14.14 15.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 14' ' ' THR . 6.5 tt0 -130.93 166.31 21.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.4 p -152.36 165.31 35.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.106 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.1 mt -103.71 157.88 16.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' B' ' 16' ' ' GLN . 1.6 tt0 -114.58 71.51 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' B' ' 62' ' ' ILE . . . 84.34 99.39 0.62 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.907 HG13 HD13 ' B' ' 15' ' ' LEU . 6.5 mm -112.42 157.6 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.409 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -58.34 131.63 51.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.589 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' B' ' 65' ' ' LYS . 11.7 tp -88.03 14.4 9.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -100.23 -8.86 23.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' B' ' 45' ' ' LYS . 1.8 m-20 -110.46 -27.47 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.899 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.7 OUTLIER -67.09 128.09 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.491 ' CA ' ' HD2' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -100.56 -24.6 14.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' THR . 0.0 OUTLIER -165.42 165.57 19.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.993 HG11 HG12 ' B' ' 63' ' ' ILE . 44.3 t -125.53 136.47 60.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' B' ' 28' ' ' VAL . 9.8 tptm -125.41 120.69 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.544 HG11 ' CD1' ' A' ' 67' ' ' LEU . 59.8 t -107.19 117.55 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 81.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.5 p -47.96 163.1 0.3 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.44 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.3 Cg_endo -75.04 161.21 39.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.04 -158.81 9.35 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.593 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.72 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.593 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.4 p-80 -110.97 -54.26 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -110.92 121.26 44.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 108.339 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.71 23.67 3.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.44 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.0 OUTLIER -127.6 151.29 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' B' ' 54' ' ' PRO . 23.5 m -78.0 161.77 27.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' SG ' ' B' ' 9' ' ' CYS . 1.2 tp10 -140.19 69.35 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' B' ' 54' ' ' PRO . 62.6 t -69.15 121.36 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.514 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.2 mm -118.37 151.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.899 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -135.71 122.69 21.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.447 ' N ' ' O ' ' B' ' 25' ' ' SER . 17.7 m -74.76 142.19 44.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.645 HD23 ' H ' ' B' ' 45' ' ' LYS . 0.4 OUTLIER -94.26 154.18 17.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.645 ' H ' HD23 ' B' ' 44' ' ' LEU . 1.3 mptm? -74.25 -6.39 47.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.9 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.95 -12.4 31.97 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -80.61 -170.4 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 110.351 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -145.45 143.93 30.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 1.106 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -123.66 107.18 11.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.514 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.0 OUTLIER -63.13 138.77 58.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.553 ' HB3' HG22 ' B' ' 59' ' ' VAL . 23.9 mt -109.44 165.89 11.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.847 ' O ' HG21 ' B' ' 59' ' ' VAL . 19.3 t30 -96.82 110.29 52.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.556 ' HB3' HG23 ' B' ' 40' ' ' VAL . 18.3 Cg_endo -75.05 46.5 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.13 28.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.51 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 28.5 t -127.62 147.56 63.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -0.46 10.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.474 1.776 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.568 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.0 OUTLIER -99.36 -19.15 17.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.847 HG21 ' O ' ' B' ' 53' ' ' ASN . 3.6 t -75.77 -19.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.545 ' N ' ' CD ' ' B' ' 60' ' ' LYS . 0.0 OUTLIER -95.29 3.67 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -117.23 -15.85 10.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.59 HD11 ' HA2' ' B' ' 17' ' ' GLY . 10.7 mt -92.99 -16.32 7.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.993 HG12 HG11 ' B' ' 26' ' ' VAL . 14.8 mt -94.3 -55.69 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -53.93 -34.89 60.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CD2' ' B' ' 20' ' ' LEU . 6.3 mtpt -72.73 -35.32 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.512 ' HG3' HG23 ' B' ' 26' ' ' VAL . 2.8 mmm -62.93 -38.94 92.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.899 ' HG ' HG11 ' A' ' 28' ' ' VAL . 9.4 mp -70.69 -15.41 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.2 OUTLIER -102.63 -27.2 12.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 65' ' ' LYS . 6.2 t-20 61.89 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . 44.53 -111.43 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -147.74 -62.15 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 28.1 t -179.09 74.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -114.74 85.87 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.831 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -104.88 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.84 -143.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 57.3 m -83.85 160.21 21.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -91.77 -5.36 53.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 132.1 20.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 108.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -92.24 -18.79 22.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 14' ' ' THR . 9.4 tt0 -135.15 168.19 19.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.6 p -151.45 165.4 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.439 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.893 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 17.6 mt -99.43 -178.17 3.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 4.7 tp60 -103.41 -14.21 16.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.481 ' CA ' ' CD1' ' A' ' 62' ' ' ILE . . . 134.26 100.64 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 15' ' ' LEU . 24.2 mt -85.0 158.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.1 t-160 -55.42 141.57 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.667 HD13 ' HG2' ' A' ' 66' ' ' MET . 15.6 tp -78.34 0.68 24.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -80.3 -4.59 53.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' OD1' HD21 ' A' ' 44' ' ' LEU . 5.7 m-80 -115.73 -57.58 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.744 HG12 ' HB1' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -42.05 129.99 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.27 -24.45 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.431 ' HA ' ' HE1' ' A' ' 66' ' ' MET . 0.3 OUTLIER -144.56 162.68 35.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.026 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.562 HG23 ' HE2' ' A' ' 66' ' ' MET . 25.5 t -129.79 138.72 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.02 123.95 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.944 HG11 ' CD1' ' B' ' 67' ' ' LEU . 24.9 t -119.92 118.54 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.29 98.73 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' CE ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -57.65 171.54 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HB3' ' N ' ' A' ' 37' ' ' GLN . 18.3 Cg_endo -75.0 170.05 21.27 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.46 -159.66 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.626 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.805 ' CD2' HD23 ' A' ' 7' ' ' LEU . 1.1 p-80 -110.75 -53.52 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.08 124.42 52.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.326 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.08 24.17 3.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 4.4 mp0 -133.78 152.09 51.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.224 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 33.1 m -82.02 162.62 22.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -146.71 86.31 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 63' ' ' ILE . 43.4 t -76.72 128.01 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 40' ' ' VAL . 2.7 mm -124.22 131.53 72.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -119.8 134.14 55.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -87.79 135.4 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -82.9 149.93 26.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -74.09 -4.38 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.33 -8.94 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.79 -10.02 32.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.166 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -84.36 -173.05 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.242 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -146.57 144.54 29.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.893 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -128.23 108.88 10.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.876 ' SG ' HD12 ' A' ' 41' ' ' ILE . 1.1 m -66.31 137.19 56.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.282 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HB3' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -114.86 156.38 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.814 HD21 ' HB3' ' A' ' 55' ' ' ALA . 58.9 t30 -93.21 123.59 60.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.2 Cg_endo -74.99 1.21 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.814 ' HB3' HD21 ' A' ' 53' ' ' ASN . . . -108.56 14.72 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -111.77 145.15 32.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.98 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -27.14 68.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.795 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.2 t -69.51 -16.17 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -99.79 3.66 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -116.39 -15.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' ' CA ' ' A' ' 17' ' ' GLY . 15.1 mt -94.15 -16.62 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 40' ' ' VAL . 16.5 mt -93.76 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 62.8 mt-10 -51.8 -36.39 47.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -73.65 -33.52 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.667 ' HG2' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -61.23 -36.47 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD12 HG11 ' B' ' 28' ' ' VAL . 7.7 mp -69.66 -15.69 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' GLY . 10.2 mmtt -103.78 -29.38 11.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' LYS . 18.3 t30 62.15 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 120.06 -173.93 15.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.43 -175.4 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.08 -53.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -114.76 85.13 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -104.89 167.65 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -135.0 -145.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 37.0 m -97.4 141.02 30.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -5.99 47.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.61 134.97 24.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mt -102.37 -15.02 16.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.463 ' O ' HG23 ' B' ' 14' ' ' THR . 6.8 tt0 -135.08 168.24 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.345 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' B' ' 52' ' ' LEU . 1.1 p -152.81 165.57 34.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.799 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 13.2 mt -103.33 176.63 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.424 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 5.0 tm0? -94.61 -11.01 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.55 ' HA2' HD22 ' B' ' 52' ' ' LEU . . . 126.63 95.25 0.93 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 8.9 mt -77.61 163.46 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.493 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.2 OUTLIER -51.75 135.65 28.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.578 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.978 HD11 ' HG2' ' B' ' 66' ' ' MET . 36.3 tp -80.36 3.21 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -86.92 -4.33 59.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -112.91 -44.93 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.772 HG12 ' HB1' ' B' ' 42' ' ' ALA . 0.9 OUTLIER -53.26 135.38 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -115.02 -25.64 8.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.58 159.11 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.961 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.955 HG11 HG12 ' B' ' 63' ' ' ILE . 42.9 t -133.99 139.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.501 ' CG ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -134.65 127.04 30.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 67' ' ' LEU . 2.7 t -108.99 114.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -108.17 86.58 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.475 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 0.2 OUTLIER -54.57 171.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.02 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.46 ' HB3' ' N ' ' B' ' 37' ' ' GLN . 18.4 Cg_endo -75.02 -174.13 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.78 -158.95 15.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.539 1.15 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.6 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.4 Cg_endo -75.01 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.6 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -113.78 -56.56 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . . . . . . . . . 46.1 t -113.95 119.27 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 108.339 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.6 24.33 3.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.46 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 11.8 mt-30 -129.37 159.09 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.499 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 14.9 m -87.02 160.34 18.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -147.28 91.87 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.7 HG22 HG22 ' B' ' 28' ' ' VAL . 54.2 t -87.0 109.06 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.851 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.4 mm -106.84 133.51 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.772 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -120.97 130.08 53.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 33.4 m -86.68 138.68 31.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' B' ' 46' ' ' ASN . 0.3 OUTLIER -87.8 149.02 24.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.461 ' CG ' ' HG3' ' B' ' 24' ' ' GLN . 0.0 OUTLIER -73.18 -4.41 32.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.519 ' HB3' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -100.14 -7.5 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.79 -8.38 36.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.457 ' HB2' HD13 ' B' ' 44' ' ' LEU . 43.9 mt-30 -82.46 -175.95 5.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -146.75 144.59 29.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -134.63 112.16 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.851 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.1 m -69.01 137.69 53.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.55 HD22 ' HA2' ' B' ' 17' ' ' GLY . 24.3 mt -110.11 165.58 11.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.884 ' O ' HG21 ' B' ' 59' ' ' VAL . 60.8 t30 -94.12 120.73 65.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.499 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.44 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -113.08 23.57 13.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.481 ' O ' ' CD ' ' B' ' 60' ' ' LYS . 4.7 t -116.83 143.31 31.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.3 14.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 16.3 tpp -76.0 -20.55 57.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.884 HG21 ' O ' ' B' ' 53' ' ' ASN . 2.2 t -70.88 -20.53 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' B' ' 56' ' ' SER . 0.0 OUTLIER -93.69 4.06 54.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -116.72 -15.82 10.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.785 HG23 HD13 ' B' ' 20' ' ' LEU . 13.5 mt -92.6 -16.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.955 HG12 HG11 ' B' ' 26' ' ' VAL . 14.4 mt -92.77 -55.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -53.32 -36.07 60.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' B' ' 69' ' ' ASN . 22.4 mmtm -76.34 -27.57 56.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.978 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.2 mmm -70.25 -38.67 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.944 ' CD1' HG11 ' A' ' 28' ' ' VAL . 9.2 mp -72.3 -15.53 61.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.0 OUTLIER -103.97 -27.22 12.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 65' ' ' LYS . 19.9 t-20 62.11 -77.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -168.18 -175.01 37.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.05 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.23 -60.32 1.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m 61.97 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.47 86.4 2.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD23 ' CG ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -103.81 176.92 4.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -135.92 -143.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 65.6 m -78.01 157.49 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.295 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.39 -2.06 52.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.68 133.3 22.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.8 -16.13 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' THR . 3.4 tm0? -134.37 168.2 19.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.4 p -151.99 165.46 34.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.849 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 9.4 mt -107.31 140.08 40.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 16.9 tt0 -64.95 -11.02 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 99.13 1.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 19' ' ' HIS . 9.2 mt -94.39 162.48 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.3 t-160 -48.14 136.48 11.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.589 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.876 HD13 ' CG2' ' A' ' 62' ' ' ILE . 15.1 tp -80.67 2.77 24.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -19.49 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.612 ' HB3' HD21 ' A' ' 44' ' ' LEU . 20.1 m-80 -102.87 -43.72 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.755 ' HB ' HD12 ' A' ' 20' ' ' LEU . 5.6 mt -56.22 133.69 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HG3' ' CG ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -113.78 -24.28 9.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.92 157.15 35.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.943 HG11 HG12 ' A' ' 63' ' ' ILE . 38.6 t -127.09 134.43 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -128.75 127.02 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.978 HG23 HG22 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -107.32 133.34 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 30' ' ' SER . 2.2 tmtt? -124.84 83.73 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.461 ' HB2' ' CE ' ' B' ' 66' ' ' MET . 0.4 OUTLIER -46.51 174.72 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.015 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 30' ' ' SER . 18.4 Cg_endo -74.98 166.49 29.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.064 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.48 -161.86 8.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.3 Cg_endo -74.98 1.03 8.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.443 1.76 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.834 ' CG ' HD23 ' A' ' 7' ' ' LEU . 1.2 p-80 -113.74 -53.04 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -112.55 124.56 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.256 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.72 23.78 5.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 2.2 mt-30 -125.34 161.25 27.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.8 m -82.68 161.48 22.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.384 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.817 ' CD ' HD11 ' A' ' 41' ' ' ILE . 1.9 tt0 -149.06 106.13 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.978 HG22 HG23 ' A' ' 28' ' ' VAL . 72.0 t -102.28 115.91 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.817 HD11 ' CD ' ' A' ' 39' ' ' GLU . 3.6 mp -119.42 118.37 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.81 143.45 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 m -92.73 144.24 25.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -90.33 150.8 21.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -74.87 -3.37 31.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.453 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -100.51 -8.46 23.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.93 32.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -84.08 -172.59 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -145.54 144.79 30.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.849 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -132.62 112.11 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -70.63 139.46 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 108.337 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 59' ' ' VAL . 23.9 mt -111.01 165.19 12.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.521 ' O ' HG21 ' A' ' 59' ' ' VAL . 42.1 t30 -95.85 111.22 55.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HB3' HG23 ' A' ' 40' ' ' VAL . 18.3 Cg_endo -74.98 47.84 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -166.83 30.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -123.03 149.23 56.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -6.45 18.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.808 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.69 ' HG3' HD11 ' A' ' 62' ' ' ILE . 20.3 tpp -96.29 -33.55 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.602 ' O ' HD12 ' A' ' 63' ' ' ILE . 3.3 t -65.55 -18.24 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 6.2 mmmm -95.13 3.26 54.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 65' ' ' LYS . 10.1 mttm -118.92 -12.13 9.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.876 ' CG2' HD13 ' A' ' 20' ' ' LEU . 14.0 mt -94.45 -16.34 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.943 HG12 HG11 ' A' ' 26' ' ' VAL . 15.5 mt -95.9 -56.74 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 60' ' ' LYS . 71.6 mt-10 -51.6 -28.94 15.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.571 ' HG2' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -84.04 -32.17 25.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.787 ' HG2' HD11 ' A' ' 20' ' ' LEU . 2.4 mmm -63.49 -38.06 89.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.751 HD11 HG21 ' B' ' 28' ' ' VAL . 8.7 mp -71.12 -14.97 62.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -104.6 -23.74 13.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' LYS . 26.3 t-20 61.71 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 146.25 -16.63 1.7 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -68.81 -171.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.92 95.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -110.65 72.93 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' B' ' 34' ' ' HIS . 5.6 mp -107.02 168.2 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -134.35 -143.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.34 158.7 15.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.93 -4.48 58.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.45 134.0 24.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 108.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.85 -18.23 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.97 169.36 17.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -150.26 165.61 32.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.988 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 4.0 mt -99.21 159.89 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -89.79 -14.03 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.53 99.5 0.55 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' B' ' 19' ' ' HIS . 9.7 mt -99.47 163.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.49 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.7 OUTLIER -57.09 133.82 55.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.622 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.831 HD11 ' HG2' ' B' ' 66' ' ' MET . 10.2 tp -79.86 1.75 25.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -69.69 -9.51 54.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HB3' HD21 ' B' ' 44' ' ' LEU . 10.7 m-80 -112.2 -43.65 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.63 ' HB ' HD12 ' B' ' 20' ' ' LEU . 3.6 mt -52.36 133.36 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -25.47 8.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.18 164.83 34.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.608 ' HB ' HG12 ' A' ' 28' ' ' VAL . 42.4 t -126.83 143.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 19.5 tptt -132.15 120.71 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.751 HG21 HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -114.67 116.21 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.26 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.25 97.65 5.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -56.85 176.46 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.2 Cg_endo -74.99 -176.23 2.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -156.54 -161.88 11.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.609 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.3 Cg_endo -75.05 1.45 7.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.609 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.6 p-80 -114.53 -49.57 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.1 OUTLIER -114.63 118.1 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 108.295 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.41 24.17 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.423 ' N ' ' HB3' ' B' ' 31' ' ' PRO . 0.4 OUTLIER -129.43 159.22 36.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -81.28 158.69 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -140.87 81.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.778 ' O ' HD13 ' B' ' 41' ' ' ILE . 39.9 t -80.4 126.35 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.806 HD12 ' SG ' ' B' ' 51' ' ' CYS . 1.1 mm -126.64 156.68 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.468 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -143.35 133.58 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -85.33 141.33 30.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.3 OUTLIER -89.56 150.42 22.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.5 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -73.89 -4.99 38.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.36 -8.18 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.61 -8.83 34.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -83.11 -173.28 4.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -145.5 144.49 30.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.988 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -131.13 111.73 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.806 ' SG ' HD12 ' B' ' 41' ' ' ILE . 1.3 m -68.79 139.37 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' B' ' 59' ' ' VAL . 19.9 mt -112.04 156.62 21.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.61 HD21 ' HB3' ' B' ' 55' ' ' ALA . 61.8 t30 -90.93 120.28 68.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.495 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.5 Cg_endo -74.96 1.06 8.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.61 ' HB3' HD21 ' B' ' 53' ' ' ASN . . . -107.9 10.6 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 30.0 t -107.91 143.01 26.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -35.52 3.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -28.11 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.653 ' O ' HD12 ' B' ' 63' ' ' ILE . 2.8 t -69.47 -14.48 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' B' ' 64' ' ' GLU . 0.3 OUTLIER -97.54 3.53 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 22.6 mttt -117.63 -15.52 10.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.603 ' CG2' HD13 ' B' ' 20' ' ' LEU . 16.7 mt -92.45 -16.45 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.674 HD11 HG11 ' B' ' 40' ' ' VAL . 46.3 mt -95.52 -54.34 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' B' ' 60' ' ' LYS . 58.2 mt-10 -58.03 -34.29 69.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.451 ' HG3' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -73.7 -29.28 62.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD11 ' B' ' 20' ' ' LEU . 2.0 mmm -66.27 -39.64 89.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.905 ' HG ' HG21 ' A' ' 28' ' ' VAL . 8.6 mp -69.88 -15.9 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 70' ' ' GLY . 0.1 OUTLIER -102.64 -27.04 12.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' B' ' 65' ' ' LYS . 21.5 t-20 62.23 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -162.45 133.32 3.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.97 -69.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -179.11 100.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.13 83.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' HB2' ' CB ' ' A' ' 34' ' ' HIS . 5.6 mp -104.74 167.27 9.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.24 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.5 m -90.65 148.38 22.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 108.307 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -5.41 50.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -143.57 127.16 16.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.28 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mt -92.44 -20.15 21.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.618 ' O ' HG23 ' A' ' 14' ' ' THR . 1.6 tp60 -129.11 170.45 13.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 13' ' ' GLN . 10.1 p -158.83 165.65 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.997 ' CD1' ' HB1' ' A' ' 50' ' ' ALA . 18.1 mt -99.07 175.83 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tm0? -108.73 -15.37 14.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 147.12 102.23 0.3 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG13 HD13 ' A' ' 15' ' ' LEU . 2.0 mm -101.73 158.13 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -51.34 138.97 20.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.585 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 66' ' ' MET . 10.2 tp -85.1 7.95 19.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -85.48 -22.63 28.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HB3' HD21 ' A' ' 44' ' ' LEU . 7.1 m-80 -96.07 -39.86 9.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 19' ' ' HIS . 2.3 mt -56.93 132.85 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -25.05 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 162.16 29.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.934 HG23 ' SD ' ' A' ' 66' ' ' MET . 48.3 t -124.38 135.81 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' CE ' ' HB2' ' B' ' 25' ' ' SER . 11.2 tptm -125.09 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.609 HG11 HD12 ' B' ' 67' ' ' LEU . 18.2 t -109.75 116.62 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.48 82.03 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -42.43 162.11 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 18.2 Cg_endo -74.98 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.51 1.795 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -134.54 -157.61 8.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HD2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 Cg_endo -74.96 1.45 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 1.7 p-80 -114.1 -56.1 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 31' ' ' PRO . 43.0 t -103.68 117.59 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 24.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 31' ' ' PRO . 3.9 mp0 -134.36 153.55 51.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.484 ' HB ' ' CG ' ' A' ' 54' ' ' PRO . 4.1 m -73.32 156.73 38.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -134.93 81.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -77.37 123.72 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.5 mt -126.89 111.13 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -99.26 131.4 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -86.12 137.11 32.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -85.15 149.96 25.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' H ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -73.92 -5.26 40.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -98.1 -8.48 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.73 -9.49 34.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.8 mt-30 -82.96 -176.52 6.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 48' ' ' GLN . 0.2 OUTLIER -142.64 144.06 32.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.997 ' HB1' ' CD1' ' A' ' 15' ' ' LEU . . . -134.55 109.65 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -66.75 138.11 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.613 HD23 ' HB2' ' A' ' 15' ' ' LEU . 24.7 mt -112.74 154.45 26.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -89.38 115.93 65.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CG ' ' HB ' ' A' ' 38' ' ' THR . 18.1 Cg_endo -75.03 -0.03 9.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.79 5.94 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -106.28 145.43 30.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -32.12 5.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.14 -19.2 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.805 ' O ' HD12 ' A' ' 63' ' ' ILE . 21.0 t -84.24 -3.27 7.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.01 3.86 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.32 -15.66 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 58' ' ' MET . 15.9 mt -92.91 -16.65 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 26' ' ' VAL . 18.0 mt -94.85 -56.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.94 -25.09 10.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -89.1 -29.61 19.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.934 ' SD ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -54.95 -38.05 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.59 ' HG ' HG11 ' B' ' 28' ' ' VAL . 5.8 mp -68.61 -14.23 62.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -105.13 -32.68 8.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' LYS . 20.1 t30 61.33 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . 176.56 -166.05 36.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 168.3 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.58 86.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 77.11 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.405 ' HB2' ' CG ' ' B' ' 34' ' ' HIS . 5.6 mp -107.64 167.9 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.54 -145.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 22.0 m -104.08 146.21 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -2.95 28.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 129.46 22.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.95 -15.23 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.526 ' O ' HG23 ' B' ' 14' ' ' THR . 0.5 OUTLIER -133.86 169.42 17.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 13' ' ' GLN . 1.1 p -154.7 165.38 36.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.397 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.971 ' CD1' ' HB1' ' B' ' 50' ' ' ALA . 6.9 mt -94.0 173.35 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' B' ' 16' ' ' GLN . 2.4 tm0? -111.72 -14.75 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 155.88 98.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.557 HG13 HD13 ' B' ' 15' ' ' LEU . 2.9 mm -103.61 161.13 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.46 ' N ' ' CG2' ' B' ' 18' ' ' ILE . 0.1 OUTLIER -56.27 131.11 47.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.871 HD13 ' O ' ' B' ' 20' ' ' LEU . 1.5 tm? -87.84 15.48 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -95.21 -24.67 16.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.51 ' HB3' HD21 ' B' ' 44' ' ' LEU . 2.5 m-20 -91.41 -32.91 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.638 ' HB ' HD22 ' B' ' 20' ' ' LEU . 0.9 OUTLIER -56.71 135.6 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -25.3 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' SER . . . . . 0.457 ' HB2' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -156.73 162.82 39.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.525 HG11 HG12 ' B' ' 63' ' ' ILE . 24.2 t -125.22 130.2 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' B' ' 41' ' ' ILE . 16.0 tptp -123.86 122.06 37.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.59 HG11 ' HG ' ' A' ' 67' ' ' LEU . 76.0 t -115.7 124.95 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 90.0 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' B' ' 31' ' ' PRO . 0.7 OUTLIER -50.71 -179.76 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' B' ' 30' ' ' SER . 18.3 Cg_endo -74.98 -175.13 2.2 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.49 -157.53 9.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.451 1.094 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PRO . . . . . 0.649 ' HD2' ' CE1' ' B' ' 34' ' ' HIS . 18.2 Cg_endo -74.99 1.49 7.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.485 1.781 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' HD2' ' B' ' 33' ' ' PRO . 1.5 p-80 -120.1 -60.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' B' ' 31' ' ' PRO . 0.8 OUTLIER -97.54 116.78 30.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 108.261 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.22 24.65 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 31' ' ' PRO . 48.1 mm-40 -118.14 -129.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.487 ' HB ' ' CG ' ' B' ' 54' ' ' PRO . 10.0 m -151.97 160.81 43.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.409 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' B' ' 38' ' ' THR . 1.9 tp10 -141.94 102.2 4.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.077 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.697 HG11 HD11 ' B' ' 63' ' ' ILE . 74.5 t -104.23 116.08 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 27' ' ' LYS . 3.6 mp -125.67 126.25 69.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.562 ' HB1' HG12 ' B' ' 23' ' ' ILE . . . -112.2 135.82 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.5 m -84.5 141.09 31.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' ' 22' ' ' ASN . 0.4 OUTLIER -89.38 150.35 22.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.51 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -73.68 -4.78 36.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' B' ' 46' ' ' ASN . 0.2 OUTLIER -99.38 -8.93 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.14 -7.86 32.97 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.452 1.095 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -84.36 -172.81 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -146.47 145.0 30.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.971 ' HB1' ' CD1' ' B' ' 15' ' ' LEU . . . -130.49 110.09 11.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' B' ' 15' ' ' LEU . 0.9 OUTLIER -69.58 137.03 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' B' ' 15' ' ' LEU . 23.2 mt -110.84 164.19 13.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.549 ' H ' HG21 ' B' ' 59' ' ' VAL . 63.5 t30 -103.33 116.6 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.487 ' CG ' ' HB ' ' B' ' 38' ' ' THR . 18.2 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.28 11.71 36.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 21.3 t -116.61 144.23 32.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.13 10.32 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.453 ' O ' HD12 ' B' ' 62' ' ' ILE . 0.4 OUTLIER -75.41 -22.05 57.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . 0.667 ' O ' HD12 ' B' ' 63' ' ' ILE . 40.5 t -81.06 -11.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.61 3.57 45.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -117.6 -15.55 10.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.805 ' CG2' HD23 ' B' ' 20' ' ' LEU . 16.1 mt -90.71 -17.91 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.697 HD11 HG11 ' B' ' 40' ' ' VAL . 16.2 mt -92.55 -57.8 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -51.78 -36.33 47.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -69.87 -38.51 76.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.831 ' HG2' HD21 ' B' ' 20' ' ' LEU . 1.7 mmm -56.04 -41.33 74.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.609 HD12 HG11 ' A' ' 28' ' ' VAL . 6.6 mp -66.07 -15.81 63.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' B' ' 70' ' ' GLY . 3.9 mtmt -101.4 -23.75 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t30 61.96 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' B' ' 68' ' ' LYS . . . -97.39 157.34 20.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.155 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -77.55 -171.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.744 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.1 p -173.57 -59.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 0 0 . 1 stop_ save_