data_1t17_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 1t17 _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 ' 2' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CB ' ' HG2' ' A' ' 111' ' ' GLU . 8.0 ttp180 -104.74 128.28 52.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -103.54 130.75 51.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.22 130.47 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.4 t -130.62 105.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -109.15 139.68 43.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.73 158.4 43.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 73.8 t -136.36 132.6 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 138' ' ' PHE . 4.0 mt -139.78 129.84 14.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 64.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 81.7 m-85 -130.76 167.26 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.4 p -72.09 161.05 80.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.0 -0.92 10.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.69 -48.69 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -27.95 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 14' ' ' PRO . 10.0 mt -68.97 -38.96 79.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.28 -37.65 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.47 -28.84 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -74.93 -35.94 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 97' ' ' PHE . 75.7 t -61.36 -38.17 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.55 14.94 59.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 35.9 t70 -50.17 -19.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.488 ' O ' ' CG ' ' A' ' 37' ' ' MET . 7.0 m -67.05 -17.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.22 25.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -108.12 -94.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 29.4 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.603 HG11 ' CE3' ' A' ' 33' ' ' TRP . 9.3 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.604 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -56.37 -21.65 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.482 ' CG2' HG13 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -120.78 179.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -135.17 -91.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.538 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -88.29 150.04 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 6.0 tmm? -151.67 150.06 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 37' ' ' MET . 1.3 ttt180 -168.44 131.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -136.22 119.1 16.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -178.57 -179.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.035 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 2.8 m-20 63.51 97.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.08 -136.21 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -150.04 155.86 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.18 122.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.06 132.24 43.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.01 -132.44 6.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -93.76 35.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -135.63 149.42 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.1 m -145.22 136.93 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 16.1 m -136.09 123.04 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.448 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' C ' ' A' ' 50' ' ' THR . 2.5 m -151.5 171.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.37 145.34 47.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -127.84 108.85 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.29 101.39 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.39 154.14 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 3.8 mt-30 -123.25 179.31 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CA ' HG23 ' A' ' 35' ' ' THR . 3.5 m -136.62 121.83 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.485 ' N ' HG23 ' A' ' 35' ' ' THR . . . -85.85 -93.79 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -75.65 54.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.8 t -107.39 1.81 23.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 60' ' ' SER . 7.5 t80 77.5 -6.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 2.7 tt -142.52 96.88 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 93.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 8.5 mt-10 -144.64 166.13 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -121.02 162.41 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -153.1 146.4 24.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.74 143.42 49.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -154.68 156.64 36.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -80.59 106.21 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.437 ' CG1' ' HB3' ' A' ' 53' ' ' ALA . 4.1 p -88.28 128.49 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -121.53 114.5 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 144.74 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -137.05 129.96 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.92 -13.39 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -25.53 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.27 -23.77 15.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 61.1 35.92 18.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.4 159.28 39.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.463 ' CD1' HG12 ' A' ' 21' ' ' VAL . 8.1 mm -128.07 138.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -141.41 140.09 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' ASN . 79.0 t -135.55 120.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -103.36 162.51 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -78.76 137.93 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 85' ' ' TYR . 3.8 tt -120.54 -56.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -134.87 -39.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -174.81 106.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -115.11 148.03 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -155.52 136.4 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 147.34 17.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.531 ' CZ3' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -130.39 133.08 46.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -139.19 153.14 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 2.2 p90 -153.82 136.86 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 158.43 58.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.31 35.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -157.64 87.76 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.06 -132.18 10.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.11 -20.8 28.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.79 167.88 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.42 148.64 32.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -112.66 130.44 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.531 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 59.7 t -122.12 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -125.8 135.88 52.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.35 118.44 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 m -99.78 123.68 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.593 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.13 124.7 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 3' ' ' ARG . 26.3 mt-10 -137.18 122.94 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 2.4 p90 -153.49 157.16 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.76 128.21 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 6.2 m-85 -107.11 174.18 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 -54.42 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -79.11 124.68 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.41 75.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.04 -50.91 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -66.6 -24.48 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.6 OUTLIER -58.87 -50.58 73.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.56 -36.31 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.69 95.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -74.63 -54.31 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.02 -18.03 12.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -79.66 -53.95 6.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 27.5 p30 -69.79 -10.98 60.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.48 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -53.11 -36.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.23 -50.02 71.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.405 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.3 mpt_? -56.45 -47.47 79.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.461 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -55.62 -44.58 77.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 134' ' ' LEU . . . -67.95 -26.54 66.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.01 -36.84 73.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.8 ptpt -75.4 -45.65 37.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.604 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 134' ' ' LEU . 65.8 mt -63.98 -57.39 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.93 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.58 -51.11 66.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 20' ' ' LEU . 2.3 t80 -61.51 -42.17 98.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.82 -45.66 91.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.5 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.65 76.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.583 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -63.74 -43.78 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -32.79 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -69.61 -30.42 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.01 -55.33 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.573 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -122.46 118.99 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -111.03 131.91 54.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.82 149.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -140.69 117.47 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -121.84 128.74 51.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -137.12 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -134.9 125.24 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.99 115.56 17.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.64 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.56 -176.22 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -81.73 160.75 63.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.458 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.02 -6.19 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.52 -47.85 37.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -52.61 -34.25 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.87 -38.53 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.92 -35.39 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.29 -31.21 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -70.05 -46.5 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.496 HG23 ' CZ ' ' A' ' 97' ' ' PHE . 54.1 t -61.5 -30.8 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -106.81 27.41 16.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.43 -10.4 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.87 -17.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.87 12.26 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.635 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -118.35 -91.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.0 p90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG12 ' CH2' ' A' ' 33' ' ' TRP . 4.9 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -74.98 -37.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.44 1.758 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.601 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -55.66 -19.13 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG2' HG21 ' A' ' 31' ' ' VAL . 1.4 tt -131.0 -177.44 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -130.21 -91.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.579 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -99.58 155.52 19.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.13 150.23 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.78 134.29 6.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.2 p -130.41 123.87 30.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.34 179.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 62.85 98.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.29 -144.0 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -140.63 164.92 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 126.75 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -133.29 132.79 41.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.94 -131.58 10.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.68 33.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 41.3 t -135.96 152.32 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -143.52 141.55 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.406 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 31.4 m -134.87 124.97 25.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.3 m -151.84 171.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.77 138.22 41.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.428 ' HB1' ' CG1' ' A' ' 70' ' ' VAL . . . -124.17 108.48 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.3 100.75 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.16 17.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -125.19 -179.47 4.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.492 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -133.82 124.79 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' PHE . . . -138.77 76.28 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.9 t80 161.64 -23.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.3 p -79.4 8.26 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 7.0 t80 63.68 9.27 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 93.85 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 92.34 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -145.07 134.46 23.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 145.89 26.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.96 154.97 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.01 141.89 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.6 p -148.6 170.74 17.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -94.12 109.07 20.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.428 ' CG1' ' HB1' ' A' ' 53' ' ' ALA . 11.8 p -91.8 136.68 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -126.89 113.17 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' CD ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 34.4 t0 -144.36 123.69 13.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -93.52 -5.3 49.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -23.4 16.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.03 -23.77 10.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.37 35.85 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 163.73 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 151.31 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.0 138.64 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 36.8 t -134.79 123.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 m -119.93 150.81 39.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -60.94 132.44 53.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt -123.26 -56.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -126.99 -4.61 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.53 109.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -140.78 162.85 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . 41.9 t30 -153.32 160.32 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.34 139.66 6.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.814 ' CZ2' ' CE1' ' A' ' 108' ' ' PHE . 90.5 m95 -116.98 146.02 43.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 3.1 mmm180 -142.22 146.9 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 95' ' ' TRP . 1.9 m-85 -151.44 101.48 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.1 mtp -127.1 141.3 40.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.73 40.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' NH1' ' A' ' 105' ' ' ARG . 2.6 pt-20 -150.05 57.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.63 -124.63 7.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.12 -20.69 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -109.65 167.85 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.64 147.88 40.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NH1' ' CD ' ' A' ' 100' ' ' GLU . 7.6 ttm105 -113.63 135.96 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' A' ' 97' ' ' PHE . 57.3 t -121.99 136.16 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.71 129.85 49.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CE1' ' CZ2' ' A' ' 95' ' ' TRP . 23.0 t80 -125.7 119.25 27.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.4 125.84 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -118.14 137.43 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.53 121.7 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.75 155.38 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -109.03 122.68 47.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -102.05 173.65 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -54.28 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 m -85.06 120.7 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.43 71.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.66 -52.89 26.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.95 -27.0 69.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.573 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -56.28 -51.61 67.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -77.36 -36.23 53.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 5.7 mt -74.86 -47.82 28.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.88 -13.8 38.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -80.37 -54.25 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 127' ' ' VAL . 18.6 p30 -68.63 -20.34 64.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.445 ' N ' ' OD1' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -48.25 -42.62 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -44.21 94.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -60.86 -54.34 46.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -55.35 -33.04 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.405 ' O ' HG12 ' A' ' 135' ' ' ILE . . . -66.91 -47.9 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.3 -46.44 71.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.514 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 5.0 pttt -61.29 -42.7 99.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.601 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -58.1 -40.82 82.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.445 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 40.5 mm -63.76 -41.73 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.74 76.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.84 -51.94 62.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.573 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 16.0 t80 -62.46 -41.83 99.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.19 -48.91 79.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.53 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.91 79.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.04 89.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -32.54 65.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.46 -31.67 70.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.6 tp -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.591 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.444 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 4.6 ttp180 -112.09 121.67 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -106.24 132.34 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 144.13 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.95 112.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -115.54 129.01 56.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' NZ ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.06 162.24 33.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.07 130.18 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.0 mt -136.16 120.29 12.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 64.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -139.86 171.35 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 p -72.44 161.05 81.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.3 9.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.35 -45.94 71.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -52.87 -33.19 48.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.2 mt -63.3 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -46.11 -40.93 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.36 -26.72 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.581 HD11 ' CH2' ' A' ' 95' ' ' TRP . 1.8 mt -74.55 -41.77 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 79' ' ' ILE . 88.1 t -57.54 -30.28 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.65 26.63 11.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.81 -7.33 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 3.7 m -81.5 -21.74 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.589 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 5.4 t70 -121.95 -40.45 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . -72.0 -98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 35.2 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' CH2' ' A' ' 33' ' ' TRP . 14.2 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.23 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.58 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.65 -19.98 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.76 -172.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.45 -90.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.441 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.67 155.04 21.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.83 151.89 16.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 131.83 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.429 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 67.6 p -130.85 120.97 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.08 179.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 0.9 OUTLIER 63.67 98.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.59 -142.53 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -143.9 152.49 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -119.8 126.55 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.9 131.35 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.18 -130.4 6.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.46 36.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 31.1 t -136.58 149.09 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m -137.66 131.36 31.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.428 HG22 ' NE ' ' A' ' 71' ' ' ARG . 84.4 m -127.58 124.54 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.411 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.0 m -152.39 172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.3 146.75 38.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.72 107.86 9.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.08 101.2 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.38 157.79 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.5 mt-30 -126.18 -179.68 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.26 125.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.457 ' N ' HG21 ' A' ' 35' ' ' THR . . . -129.31 159.57 22.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 56.35 16.28 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -107.28 8.45 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 6.3 t80 62.15 10.12 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 94.86 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 92.75 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -144.95 151.05 38.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -119.66 158.68 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 11.0 m-85 -153.59 152.47 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.35 141.75 49.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -150.81 159.21 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.77 110.99 15.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.428 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 4.4 p -87.39 133.49 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NE ' HG22 ' A' ' 50' ' ' THR . 11.3 mtt-85 -128.13 124.77 37.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.18 46.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.231 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.5 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 37.3 t0 -143.79 131.84 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -9.92 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -23.34 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.89 -27.28 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.6 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.473 ' HB3' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.13 161.4 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 21' ' ' VAL . 1.1 mm -123.96 140.6 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -150.48 137.18 19.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 70' ' ' VAL . 7.5 t -139.79 131.53 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.5 m -119.23 159.18 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 3.8 tp -64.47 135.75 56.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -122.89 -57.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -4.15 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 112' ' ' PHE . 2.1 tt -165.53 114.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.3 148.23 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.6 109.55 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.21 147.77 17.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.581 ' CH2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -145.54 128.8 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.473 ' CD ' ' HB3' ' A' ' 78' ' ' SER . 2.5 mmt180 -134.81 159.0 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 1.4 p90 -150.45 135.63 17.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 mtt -144.96 157.2 54.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.446 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 18.2 Cg_endo -75.01 150.11 37.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 99' ' ' PRO . 21.8 mt-10 -162.99 95.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.34 -134.55 12.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.39 -26.17 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -112.74 167.37 10.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.05 147.92 26.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 131.99 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.571 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 82.4 t -121.59 141.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -127.52 124.24 37.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 110' ' ' ILE . 8.0 t80 -120.55 121.54 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.85 139.92 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.2 pp -126.4 122.57 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.444 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 4.7 mt-10 -136.02 127.85 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 1.1 p90 -156.51 160.93 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.59 121.53 44.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.592 ' CZ ' HD12 ' A' ' 123' ' ' LEU . 1.6 m-85 -102.2 171.89 7.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -51.85 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.74 113.17 24.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.7 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.65 -54.1 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.92 -23.99 66.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -59.25 -52.1 67.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.84 -35.37 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -50.68 73.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' A' ' 114' ' ' PHE . 4.0 mt -75.37 -40.8 57.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.48 -16.62 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.43 -54.14 7.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 8.5 p30 -68.21 -25.03 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.444 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.22 -41.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -62.17 -46.86 87.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' ASN . 5.2 mmt180 -60.91 -54.16 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.89 -35.25 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -70.78 -34.17 71.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.19 95.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.502 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.3 pttt -70.27 -41.68 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.58 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -60.51 -42.51 96.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.4 HG12 ' NZ ' ' A' ' 8' ' ' LYS . 71.5 mt -63.19 -46.17 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.15 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.22 -51.42 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 20' ' ' LEU . 14.8 t80 -62.42 -40.68 97.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.78 82.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -36.52 81.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.94 92.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -32.36 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -73.13 -28.1 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -60.01 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -133.31 117.29 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.699 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -99.26 127.45 45.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -105.25 145.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.439 ' CG1' HD11 ' A' ' 135' ' ' ILE . 1.8 t -145.0 104.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -114.94 122.05 45.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 168.06 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t -135.25 120.91 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 138' ' ' PHE . 20.7 mt -119.53 119.94 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 62.85 5.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -143.85 177.29 8.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -70.41 159.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.31 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -67.95 -39.25 83.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 138' ' ' PHE . 3.2 mp0 -53.41 -25.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' LEU . 15.8 mt -68.2 -42.23 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -39.76 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.2 -27.56 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 138' ' ' PHE . 2.0 mt -77.4 -40.91 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 79' ' ' ILE . 74.2 t -61.64 -38.44 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.88 21.85 41.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.96 -8.51 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 17.6 m -84.66 -18.17 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -136.37 10.95 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.1 -90.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.99 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.58 ' CZ2' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.0 -31.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.475 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -122.48 -169.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.97 -91.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.585 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.37 156.54 22.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.3 pmm? -161.75 151.78 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.88 131.3 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 31.4 p -133.36 120.65 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.84 176.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.93 100.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 177.2 -136.05 2.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -144.32 156.23 44.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.51 119.08 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -130.83 128.83 41.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.28 -130.63 8.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' OD1' ' A' ' 75' ' ' ASP . . . -93.54 35.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.82 146.9 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 9.3 m -145.55 131.56 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 57.5 m -131.91 128.12 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.4 m -152.35 172.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' N ' ' HD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.96 140.45 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.07 114.23 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -110.39 100.99 9.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.31 164.62 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.433 ' C ' HG22 ' A' ' 35' ' ' THR . 25.5 mt-30 -128.94 -178.8 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.05 125.38 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' HG21 ' A' ' 35' ' ' THR . . . -137.67 68.26 0.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 172.63 -27.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.82 8.04 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.654 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 63.44 10.0 4.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.44 93.8 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 91.99 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -145.57 134.02 21.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -95.03 153.01 17.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.9 155.15 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.46 142.27 47.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.504 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.2 p -150.74 162.23 41.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 112.3 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.29 136.09 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.482 ' HG3' ' CG2' ' A' ' 50' ' ' THR . 1.4 mtp180 -128.37 118.35 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.463 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.8 OUTLIER -115.19 152.1 33.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -146.44 126.62 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' CD ' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.25 -20.98 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.492 ' OD1' ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -88.69 -27.5 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.07 -22.96 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 3.3 mtm-85 60.74 35.35 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 163.78 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -139.24 141.49 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.87 141.79 24.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 93' ' ' ASN . 14.2 t -137.07 133.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 m -114.83 152.86 31.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.3 OUTLIER -74.42 136.71 42.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -124.07 -59.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -134.16 -2.36 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -175.72 146.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.12 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -141.54 129.79 22.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -139.8 145.31 16.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.758 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 84.0 m95 -126.59 112.44 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -112.68 149.37 32.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -131.19 130.46 43.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 115.92 4.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.86 43.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.441 1.759 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.54 60.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.27 -136.54 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -70.07 -30.76 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.73 163.05 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.39 147.4 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -115.3 130.22 56.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.29 141.28 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.53 127.62 48.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.758 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.0 t80 -120.01 117.32 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.32 131.19 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -129.54 137.36 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -136.38 138.27 41.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.87 171.73 14.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -140.53 120.97 14.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.27 158.18 38.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -40.72 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -83.61 109.58 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.05 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.69 -57.93 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.89 -26.87 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -57.74 -51.48 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -79.03 -32.57 45.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -49.35 76.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 6.5 mt -75.73 -45.8 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . . . -63.65 -16.19 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -75.79 -53.41 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 129' ' ' ARG . 7.9 p30 -66.5 -27.64 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.699 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.26 -40.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.11 -45.55 91.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' ASN . 8.5 mmt85 -58.82 -49.57 77.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.34 82.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.19 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.31 -47.72 28.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.43 -33.81 76.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.58 HD12 ' CZ2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -68.35 -41.19 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.439 HD11 ' CG1' ' A' ' 6' ' ' VAL . 53.1 mt -62.77 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.42 77.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.3 t -63.09 -51.43 66.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.345 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CD2' HD11 ' A' ' 20' ' ' LEU . 14.8 t80 -60.11 -39.03 84.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.48 -49.28 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.91 91.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.554 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -63.7 -36.2 83.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.66 96.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.88 -32.68 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.554 HE22 ' NH2' ' A' ' 141' ' ' ARG . 25.3 tt0 -69.01 -35.11 76.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.12 -54.75 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.434 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 47.2 m-70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.408 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 5.6 ttt180 -135.28 116.45 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.679 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -106.69 131.84 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.604 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.72 133.09 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.67 103.45 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -112.59 135.31 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.43 ' NZ ' ' CD1' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -144.13 169.41 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -134.89 124.57 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 6.8 mt -125.83 120.04 24.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD2' ' CE2' ' A' ' 12' ' ' TYR . 18.2 Cg_endo -75.04 76.88 3.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CE2' ' HD2' ' A' ' 11' ' ' PRO . 66.1 m-85 -149.74 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -76.78 161.24 74.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 0.82 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.36 -45.41 69.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.16 -23.0 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 97' ' ' PHE . 4.9 mt -75.12 -42.02 57.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -45.12 -37.45 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.21 -33.82 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -72.57 -39.49 67.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG1' ' CG1' ' A' ' 79' ' ' ILE . 78.0 t -61.12 -40.11 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HB1' ' A' ' 26' ' ' ALA . . . -100.4 15.76 58.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.593 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 21.4 t0 -50.17 -21.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 m -66.78 -12.4 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.33 25.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 22' ' ' GLY . . . -110.45 -88.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 73.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.637 ' CG1' ' CE3' ' A' ' 33' ' ' TRP . 48.0 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.16 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.637 ' CE3' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -58.47 -16.03 13.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.497 ' CG2' HG11 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -131.75 178.13 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -129.64 -94.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.388 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.55 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -101.25 151.83 18.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -162.34 152.32 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.07 133.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -126.31 120.26 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.25 177.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 65.76 100.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.32 -144.82 7.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -142.95 153.05 42.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.47 124.76 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -133.14 130.69 39.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.12 -132.59 6.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.2 35.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 t -134.62 148.49 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.35 131.55 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.045 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.405 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 54.9 m -130.48 125.04 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG21 ' CG1' ' A' ' 70' ' ' VAL . 3.9 m -151.92 171.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -79.37 136.18 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.12 12.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 37' ' ' MET . 15.6 tt0 -103.89 99.9 9.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.7 171.48 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.51 ' C ' ' CG2' ' A' ' 35' ' ' THR . 53.8 mt-30 -136.85 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.506 ' CA ' HG21 ' A' ' 35' ' ' THR . 1.2 m -130.25 123.53 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' HG21 ' A' ' 35' ' ' THR . . . -123.75 153.25 17.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.69 15.09 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 81.5 p -101.75 8.21 41.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 4.1 t80 62.82 9.15 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 tt -138.94 94.08 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 94.14 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -144.59 132.66 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -95.45 156.61 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 14.9 m-85 -146.73 152.77 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' THR . . . -126.82 141.33 51.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -153.3 157.86 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -82.74 109.86 17.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' HG21 ' A' ' 51' ' ' VAL . 10.1 p -89.77 135.62 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -127.62 128.62 45.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -127.87 146.95 50.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.2 116.82 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -25.86 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.17 -22.27 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 60.01 36.4 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 161.6 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CG1' ' CG1' ' A' ' 21' ' ' VAL . 1.7 mm -133.17 139.88 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.42 140.14 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 69' ' ' ARG . 55.7 t -134.47 136.02 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -119.68 158.56 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.2 OUTLIER -67.4 134.42 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.592 ' C ' ' CD1' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -124.32 -60.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -128.15 -2.43 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.3 tt -176.18 130.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -152.07 148.51 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -149.93 149.06 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.94 148.01 14.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 108' ' ' PHE . 57.2 m95 -119.22 126.65 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.77 146.77 42.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.567 ' CD1' HD22 ' A' ' 17' ' ' LEU . 4.9 m-85 -145.22 111.84 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.4 136.5 29.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.22 40.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 -136.74 12.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.64 -26.9 60.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -105.88 167.12 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 147.39 43.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -105.77 133.64 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 17' ' ' LEU . 57.9 t -120.68 138.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -129.53 123.25 30.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.796 ' CE2' ' CH2' ' A' ' 95' ' ' TRP . 3.9 t80 -113.12 119.86 39.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.44 123.37 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.603 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.1 pp -117.4 119.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 36.1 mt-10 -136.48 118.37 15.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 2.5 p90 -149.14 157.25 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.1 121.13 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' A' ' 123' ' ' LEU . 2.5 m-85 -95.37 161.58 14.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -52.98 6.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -85.43 128.13 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.75 73.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.53 -46.65 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.5 -24.16 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -59.07 -51.2 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -74.8 -35.55 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -48.55 78.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' A' ' 114' ' ' PHE . 2.7 mt -75.0 -40.92 60.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -69.96 -14.22 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -79.94 -54.34 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.3 p30 -69.8 -25.18 63.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.679 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -41.72 -34.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.405 ' N ' HG11 ' A' ' 127' ' ' VAL . 27.7 t70 -64.76 -52.98 54.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER -59.77 -53.01 63.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.436 ' CA ' ' HE2' ' A' ' 133' ' ' LYS . . . -54.49 -37.08 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 135' ' ' ILE . . . -63.67 -45.39 90.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.93 81.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HE3' ' CB ' ' A' ' 33' ' ' TRP . 2.3 pttt -60.84 -42.25 97.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.631 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -57.65 -41.0 80.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.43 ' CD1' ' NZ ' ' A' ' 8' ' ' LYS . 29.3 mm -66.6 -50.04 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.91 63.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.1 t -67.89 -51.38 48.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 2.8 t80 -60.65 -44.9 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -48.95 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.81 73.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.5 96.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.534 ' HA ' ' CD2' ' A' ' 146' ' ' HIS . 1.6 tt0 -75.23 -32.89 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -71.49 -36.54 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.85 -59.9 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.3 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -120.2 125.62 48.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.646 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.76 140.9 41.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.06 139.12 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.41 108.04 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -120.34 119.41 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 155.0 39.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 114.37 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.51 121.03 32.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 63.53 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.1 177.77 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -76.56 161.54 74.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.04 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -72.4 -46.63 54.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -54.15 -23.69 15.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 11.4 mt -71.05 -41.52 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.17 -36.62 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.28 -28.96 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -71.29 -39.99 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 HG21 ' CZ2' ' A' ' 95' ' ' TRP . 12.7 t -59.81 -43.21 91.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -97.33 24.63 30.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.7 t70 -67.38 -7.16 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' O ' ' CG ' ' A' ' 37' ' ' MET . 15.9 m -87.17 -18.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -131.37 6.61 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.656 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -123.34 -90.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 44.3 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' CH2' ' A' ' 33' ' ' TRP . 25.8 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.0 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -52.76 -21.29 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.5 tt -127.12 -177.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.08 -91.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.56 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -90.45 148.16 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 42.1 tpp -153.97 147.91 25.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -167.36 131.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 30.1 p -135.73 118.84 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.43 179.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.26 92.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.69 -136.82 2.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 162.68 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.5 119.92 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -130.2 131.12 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.72 -131.57 7.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.92 35.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.8 148.04 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -141.88 134.2 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.401 ' O ' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m -129.3 126.84 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.36 172.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 144.67 41.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.61 109.08 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.62 101.95 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.25 153.0 30.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.46 -178.73 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CA ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -137.78 124.92 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 35' ' ' THR . . . -110.72 -60.23 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.43 33.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 4.0 m -106.54 6.64 30.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 60' ' ' SER . 28.8 t80 62.79 13.35 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -145.13 113.24 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -83.91 90.96 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.37 164.58 31.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 157.33 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -146.61 154.73 41.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.67 139.52 42.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.465 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -154.39 155.31 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.11 110.28 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 79' ' ' ILE . 6.6 p -88.2 135.55 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -123.58 114.8 20.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 72' ' ' ARG . 4.2 mtm105 -108.65 148.23 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 33.4 t0 -141.26 127.77 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.43 -12.06 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -95.36 -22.89 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.34 -21.93 13.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' O ' ' CZ3' ' A' ' 95' ' ' TRP . 1.8 mtm105 61.18 33.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.74 160.63 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.691 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -128.16 152.24 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -151.55 137.83 18.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 68' ' ' THR . 28.4 t -127.16 138.27 55.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 m -118.9 154.59 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -71.37 130.84 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 83' ' ' LEU . 1.8 tt -124.86 -56.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -133.47 -1.53 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -176.82 127.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.34 146.58 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -141.94 157.9 44.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 163.05 20.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 97' ' ' PHE . 12.4 p-90 -149.18 151.0 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.91 142.34 42.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' A' ' 95' ' ' TRP . 20.4 m-30 -94.14 145.44 24.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -155.07 93.46 2.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.99 36.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 57.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.13 -130.01 8.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.09 -19.86 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.17 167.44 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.72 146.62 50.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 98' ' ' MET . 0.6 OUTLIER -122.48 125.8 46.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 97' ' ' PHE . 43.7 t -110.98 141.76 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -126.09 131.43 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.4 118.94 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -99.11 125.66 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.31 123.35 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -136.36 117.59 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 2.0 p90 -146.79 160.79 41.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.56 129.08 55.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -108.58 169.23 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -54.38 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 m -93.12 121.8 34.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.88 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.87 -50.19 63.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.87 -24.62 66.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.606 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -58.68 -52.13 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -75.09 -34.98 61.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -49.04 77.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.9 mt -75.66 -42.94 49.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -66.84 -14.37 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -78.49 -53.28 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 129' ' ' ARG . 6.0 p30 -69.12 -24.08 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.646 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.23 -44.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.9 t0 -62.24 -44.32 96.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.5 OUTLIER -59.59 -49.1 79.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.22 84.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.421 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -63.3 -32.31 73.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.39 85.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.492 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 8.8 pttt -72.18 -37.72 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -66.92 -40.15 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.57 -35.77 62.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.74 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.61 -50.37 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.572 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 62.7 t80 -65.75 -45.62 81.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -47.68 83.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.92 80.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.46 80.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.12 95.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.96 -32.84 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.01 78.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.07 -56.5 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 17.0 m-70 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.43 143.26 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.623 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -127.86 131.04 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.41 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 2.2 p -103.76 152.55 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.41 ' CG2' ' C ' ' A' ' 5' ' ' VAL . 1.3 t -148.81 115.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -119.06 113.47 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 160.03 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.49 122.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 1.2 mt -137.46 130.31 16.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.0 70.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 142' ' ' ALA . 23.2 m-85 -129.85 168.66 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -80.59 166.45 39.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.05 -1.29 11.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 18' ' ' PHE . 8.1 t0 -74.87 -48.03 27.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.26 -39.74 57.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 97' ' ' PHE . 2.3 mt -59.25 -39.0 81.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' ASP . 17.3 t80 -45.95 -39.48 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.26 -32.25 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -71.77 -35.73 70.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 79' ' ' ILE . 79.3 t -60.38 -34.66 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.08 27.68 16.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 5.7 t70 -71.05 -6.76 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 39' ' ' THR . 20.7 m -79.68 -14.21 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' A' ' 27' ' ' TYR . 16.7 t70 -133.49 -36.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.735 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -80.69 -93.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.735 ' O ' ' O ' ' A' ' 26' ' ' ALA . 50.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -51.28 -22.24 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 108.03 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' PRO . 2.0 tt -128.85 -179.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -127.65 -90.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.572 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.92 152.33 19.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 22.5 tpp -154.47 151.34 28.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -163.46 139.35 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.467 HG23 ' CG2' ' A' ' 24' ' ' VAL . 51.4 p -135.82 119.27 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.498 ' NE1' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -179.38 177.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.498 ' ND2' ' NE1' ' A' ' 40' ' ' TRP . 1.2 m-20 65.82 100.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.86 -144.15 7.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.62 160.28 40.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.92 124.4 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -134.25 132.9 40.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.84 -131.29 6.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.34 37.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 25.6 t -136.42 149.34 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.4 130.46 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.414 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 66.9 m -127.48 125.82 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 110.369 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.6 m -152.21 172.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.03 138.97 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.93 107.95 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.01 100.61 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.07 153.88 26.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' CG2' ' A' ' 35' ' ' THR . 3.8 mt-30 -124.66 179.84 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -135.7 125.15 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' HG22 ' A' ' 35' ' ' THR . . . -124.98 -47.22 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 37.3 t80 -75.6 -5.46 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -85.51 5.02 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 16.8 t80 58.81 12.12 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -128.03 105.38 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 92.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.34 158.09 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -126.03 152.53 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -151.97 156.91 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.33 141.97 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -147.71 156.86 43.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 3.3 tpt180 -78.47 112.08 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -93.83 131.8 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.48 125.49 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.72 152.89 46.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 25.6 t0 -145.91 129.84 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -90.83 -11.8 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 -24.04 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.86 -28.25 13.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 60.85 38.14 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.43 160.72 33.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 HD13 ' CG1' ' A' ' 21' ' ' VAL . 16.4 mm -125.6 137.77 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -143.14 139.4 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' ASN . 7.0 t -139.04 135.87 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 m -122.46 155.63 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -74.05 132.56 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.54 ' C ' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -124.04 -56.22 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -132.54 -1.95 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 tt -176.63 145.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.85 165.85 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -155.21 118.23 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.32 141.66 12.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.522 ' CH2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -143.22 131.55 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -138.91 158.98 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 14.6 p90 -154.72 145.47 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.32 138.12 11.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.52 36.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.94 176.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 37.98 -132.46 1.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.82 -21.45 15.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -128.77 164.49 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.77 148.36 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.13 127.61 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.522 HG12 ' CH2' ' A' ' 95' ' ' TRP . 57.7 t -120.04 139.49 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -123.87 127.75 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -125.66 108.44 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.32 118.42 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -107.47 134.49 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 88.2 mt-10 -124.17 147.67 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -173.87 159.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -123.36 120.33 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 123' ' ' LEU . 2.7 m-85 -96.77 170.23 9.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 -52.31 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -81.99 119.5 24.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.36 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.43 -54.07 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.51 -26.71 68.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 2.4 t0 -56.52 -51.57 68.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.95 -37.47 55.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.88 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 7.0 mt -74.85 -47.61 29.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.51 -13.14 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -80.4 -53.63 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 127' ' ' VAL . 11.4 p30 -71.74 -25.01 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.623 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -44.47 -42.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.23 -44.93 93.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.71 -49.47 77.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.37 78.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.84 -45.86 91.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.088 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.0 pttt -69.1 -41.03 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.576 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -61.86 -41.54 97.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.404 HD12 ' CG1' ' A' ' 6' ' ' VAL . 31.9 mt -62.61 -47.28 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.37 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 28.3 t -62.05 -50.99 69.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.92 -39.01 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -51.5 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.52 72.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -37.02 85.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . . . -63.82 -43.49 96.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.78 66.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.21 -34.49 77.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -51.85 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.598 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 35.2 m-70 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -125.31 117.82 24.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.12 142.44 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 16.2 t -105.11 145.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 5' ' ' VAL . 2.9 t -150.52 103.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -121.42 124.4 44.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 158.52 38.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -136.69 130.26 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 138' ' ' PHE . 1.2 mt -139.67 130.47 14.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.97 56.25 4.18 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 142' ' ' ALA . 20.5 m-85 -115.17 161.32 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.404 HG22 ' NE2' ' A' ' 146' ' ' HIS . 22.6 p -66.0 162.79 42.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.481 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 14.3 t0 -74.56 -48.04 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -51.48 -23.0 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 97' ' ' PHE . 11.3 mt -69.13 -44.99 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -45.13 -32.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.62 -35.41 45.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.589 ' CD1' ' CG ' ' A' ' 138' ' ' PHE . 2.9 mt -75.89 -38.23 58.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 79' ' ' ILE . 40.6 t -61.73 -35.56 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -104.71 23.26 31.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.82 -16.22 6.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 16.5 m -83.96 -12.19 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.6 14.21 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.629 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.91 -94.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.632 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.4 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 1.9 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HD2' ' CD ' ' A' ' 133' ' ' LYS . 18.5 Cg_endo -74.95 -37.41 2.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -48.61 -23.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -123.42 176.12 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -135.35 -90.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.71 154.85 20.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.62 151.69 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.81 132.13 5.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.466 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 70.8 p -131.66 118.56 20.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.35 179.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.9 97.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 175.3 -149.04 9.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -135.39 160.03 39.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -125.31 127.81 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.27 130.95 37.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.97 -131.71 6.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . -95.44 36.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 33.7 t -136.53 149.09 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.59 133.44 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.407 ' O ' ' HA3' ' A' ' 42' ' ' GLY . 83.8 m -127.72 122.4 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.3 m -152.22 172.27 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.32 139.6 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . . . -125.58 111.94 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -104.09 100.21 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 154.73 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.466 ' C ' ' CG2' ' A' ' 35' ' ' THR . 15.7 mt-30 -125.23 178.71 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CA ' HG23 ' A' ' 35' ' ' THR . 1.4 m -135.24 126.0 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 35' ' ' THR . . . -108.33 -65.43 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.0 35.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.4 m -108.05 5.53 26.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 55.4 t80 59.9 11.61 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.12 94.62 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 91.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -145.54 161.22 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.1 ptmt -121.02 150.97 40.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 3.5 m-85 -146.94 147.2 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.79 141.6 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.78 156.43 40.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.392 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -78.14 110.02 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' HB ' ' CB ' ' A' ' 53' ' ' ALA . 7.1 p -88.29 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.37 114.78 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -109.65 155.46 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 15.0 t0 -147.33 126.35 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.01 -10.75 38.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -23.09 15.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.17 -26.71 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 9.2 mmt-85 61.92 36.51 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.63 153.39 49.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.698 ' HB ' ' CD1' ' A' ' 95' ' ' TRP . 20.7 mm -119.93 142.55 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -144.55 137.26 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' ASN . 98.2 t -135.33 130.58 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 161.81 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 2.7 tp -63.86 131.35 47.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.4 -56.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.62 -4.2 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 112' ' ' PHE . 2.3 tp -173.24 116.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -140.14 138.66 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.0 t-20 -150.73 124.38 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.81 161.73 33.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.698 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -146.49 166.63 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -131.71 147.22 52.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.526 ' CG ' HD22 ' A' ' 17' ' ' LEU . 20.3 m-85 -123.28 106.93 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.85 148.73 71.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.04 38.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -158.68 91.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -131.95 10.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -89.22 -19.88 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.51 168.0 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.77 147.89 24.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.39 130.67 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.05 131.48 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.85 124.15 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 110' ' ' ILE . 1.6 t80 -123.82 120.42 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.1 m -106.85 126.5 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -113.32 118.2 57.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -137.19 119.49 15.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 111' ' ' GLU . 1.4 m-85 -151.72 154.72 36.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.11 120.87 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.657 ' CE1' ' CD1' ' A' ' 123' ' ' LEU . 8.4 m-85 -97.23 168.64 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -50.0 7.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 m -87.2 118.14 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.52 64.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.35 -54.08 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.91 -29.0 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.598 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 3.4 t0 -53.72 -52.38 60.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.61 -41.25 39.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -46.56 71.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.657 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 7.7 mt -74.15 -44.27 54.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.28 -16.47 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.455 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 7.6 p30 -67.24 -26.1 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.404 ' N ' ' OD1' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -44.67 -41.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.06 -40.64 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.8 mmp_? -64.64 -50.46 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 33' ' ' TRP . . . -58.94 -49.84 76.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.17 70.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.72 -50.27 25.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.38 -36.94 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.599 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.0 -42.68 99.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.94 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.94 -51.71 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.589 ' CG ' ' CD1' ' A' ' 20' ' ' LEU . 15.4 t80 -57.86 -39.29 77.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.04 -52.08 57.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.01 77.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.633 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -62.91 -38.67 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.539 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . . . -62.77 -43.39 98.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.23 -32.8 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . 0.633 HE22 ' NH2' ' A' ' 141' ' ' ARG . 24.0 tt0 -67.57 -37.35 82.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.02 -50.66 21.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.404 ' NE2' HG22 ' A' ' 13' ' ' THR . 5.7 m-70 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.61 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.0 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -123.79 146.09 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -128.94 137.16 51.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.594 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 11.8 t -104.1 147.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.405 ' CG2' ' C ' ' A' ' 5' ' ' VAL . 2.4 t -149.18 111.22 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -118.09 131.73 56.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.71 163.53 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.52 126.88 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 138' ' ' PHE . 40.0 mt -126.55 117.1 22.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 70.78 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CD1' ' CD2' ' A' ' 146' ' ' HIS . 60.6 m-85 -152.22 -176.1 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.7 p -78.92 160.68 71.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 0.83 8.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.01 -49.09 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.66 -33.53 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 97' ' ' PHE . 9.1 mt -62.79 -39.42 94.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -46.81 -37.93 9.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -26.34 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.591 HD12 ' CZ3' ' A' ' 95' ' ' TRP . 1.5 mt -73.35 -46.03 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 79' ' ' ILE . 44.0 t -59.71 -41.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.78 27.15 21.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' HA ' ' H ' ' A' ' 27' ' ' TYR . 10.3 t70 -68.73 -8.29 41.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -87.22 5.02 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.646 ' O ' ' CZ ' ' A' ' 27' ' ' TYR . 4.7 t70 -148.39 -35.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.657 ' O ' ' CD1' ' A' ' 27' ' ' TYR . . . -81.49 -57.84 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.657 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG11 ' CZ3' ' A' ' 33' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.19 2.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -56.27 -19.48 14.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 tt -132.26 179.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -132.57 -91.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.536 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.61 152.69 20.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.402 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.01 151.36 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.53 129.65 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 p -130.7 120.31 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.66 177.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.56 99.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.32 -140.57 4.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 157.76 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.01 124.24 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.01 133.26 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.35 -131.85 5.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -95.7 37.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.1 147.87 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.3 m -141.72 121.73 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.448 HG23 ' CD ' ' A' ' 69' ' ' ARG . 55.1 m -117.62 127.47 53.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.4 m -152.27 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.67 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.06 107.81 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 100.58 11.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.4 156.68 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.496 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.9 mt-30 -128.2 175.4 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' CA ' HG21 ' A' ' 35' ' ' THR . 2.8 m -131.33 124.44 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' N ' HG21 ' A' ' 35' ' ' THR . . . -105.38 -66.25 0.67 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.15 40.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 9.3 t -107.81 5.98 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' SER . 88.0 t80 60.15 11.7 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 1.8 tt -145.26 95.26 2.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 92.54 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 6.7 mt-10 -145.97 152.37 39.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -116.09 162.78 16.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 45.3 m-85 -157.03 157.24 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.19 142.62 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -150.72 157.09 42.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' CD ' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -82.01 108.51 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.36 131.77 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.82 111.46 18.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -104.72 149.81 25.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -147.1 122.26 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -92.77 -9.79 39.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -23.56 16.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.06 -21.64 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.586 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 5.9 mtt180 60.72 37.13 19.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.04 161.67 33.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.477 ' HB ' ' CD1' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -130.68 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.54 142.35 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.7 t -137.53 123.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 m -110.75 157.3 19.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -68.78 132.71 47.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -122.29 -56.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -133.28 -1.2 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.438 ' CD2' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -176.46 114.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -133.3 145.93 50.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -144.52 109.63 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.9 144.85 16.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.591 ' CZ3' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -139.5 128.03 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -137.12 141.49 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 17.1 p90 -140.16 143.61 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.1 mtm -148.58 168.68 10.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -159.08 89.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.07 -134.65 13.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.48 -23.53 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.24 165.63 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 147.9 27.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -108.81 132.4 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.449 ' CG1' ' CZ3' ' A' ' 95' ' ' TRP . 59.1 t -119.71 140.79 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.7 124.96 39.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.65 113.67 18.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.02 143.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.578 HD12 ' CE2' ' A' ' 112' ' ' PHE . 1.5 pp -127.67 125.73 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -136.26 124.52 23.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 110' ' ' ILE . 2.7 p90 -155.62 157.36 36.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.92 121.58 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.662 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 2.0 m-85 -99.07 174.2 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -51.64 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.73 129.36 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.66 -46.52 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.04 -23.94 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.61 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -60.61 -51.89 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -73.03 -38.56 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -46.15 89.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.662 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 5.8 mt -75.29 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -60.87 -14.02 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -78.37 -53.72 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.23 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 129' ' ' ARG . 6.9 p30 -68.65 -27.76 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -41.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.89 -47.68 82.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.5 mmt85 -58.95 -50.95 72.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.86 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -64.87 -32.32 73.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.92 -45.81 79.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.495 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 9.2 pttt -67.32 -39.39 85.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -63.58 -41.8 98.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -40.12 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.76 81.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.4 -51.59 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 20' ' ' LEU . 19.5 t80 -58.59 -40.78 84.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.97 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.44 -37.38 65.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -64.26 -45.3 88.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.34 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -32.18 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -66.74 -38.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -55.24 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.425 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 4.6 m-70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.459 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 33.8 m-70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 19.7 ttt180 -117.95 124.98 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -120.74 128.39 52.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.95 136.28 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 108' ' ' PHE . 2.0 t -135.68 128.53 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -124.39 128.14 48.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' HG12 ' A' ' 135' ' ' ILE . 8.8 pttt -132.74 157.89 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -137.66 121.71 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.9 mt -121.78 117.03 30.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.02 65.27 6.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -135.35 168.86 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -58.35 161.43 7.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.14 16.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.8 -43.0 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -51.47 -32.11 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' LEU . 11.3 mt -64.67 -41.81 95.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.04 -33.47 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.623 ' CG2' ' CE2' ' A' ' 97' ' ' PHE . 93.9 t -61.36 -31.01 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -106.56 27.02 18.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.74 -10.85 40.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 35.8 m -82.18 -13.56 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.37 20.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.625 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -117.69 -109.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.654 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.7 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.41 -30.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 107.966 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -123.6 -166.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.57 -90.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.2 150.62 18.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -156.46 150.35 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.67 135.14 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.427 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 30.7 p -134.81 119.33 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.7 -178.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 65.0 90.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.18 -143.27 5.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -130.8 156.73 44.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 134.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' VAL . 14.0 t0 -128.14 156.01 43.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -40.58 124.01 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 39.43 34.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 45' ' ' ASP . 55.5 t -147.46 158.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.79 134.23 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 66.3 m -135.02 119.53 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.0 m -152.74 172.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 138.53 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.76 111.66 19.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 103.49 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.37 150.46 28.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.0 mt-30 -124.66 174.36 7.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CA ' HG22 ' A' ' 35' ' ' THR . 1.5 m -133.81 127.0 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 35' ' ' THR . . . -110.69 -57.68 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.51 33.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 14.9 m -108.61 6.02 25.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 52.6 t80 59.18 13.32 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.48 101.8 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 91.5 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -145.6 137.58 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.19 150.74 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -142.18 144.73 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.18 50.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -151.86 162.31 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.86 114.6 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -96.7 140.57 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.51 122.81 20.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 0.0 OUTLIER -119.64 153.74 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -145.2 126.09 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 -11.82 37.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.72 -23.6 19.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.73 -24.96 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 39.34 10.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.6 160.08 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.474 HD13 ' CB ' ' A' ' 72' ' ' ARG . 9.7 mm -131.46 138.99 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -141.29 139.71 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.12 133.27 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -123.03 156.92 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 5.7 tp -68.04 136.19 53.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -124.31 -56.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -129.87 -3.6 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 HD23 ' CG2' ' A' ' 68' ' ' THR . 0.2 OUTLIER -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 91' ' ' LEU . 5.4 m-80 -161.49 147.09 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -143.64 153.7 42.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.42 142.7 8.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 30.1 m95 -131.29 108.15 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -99.95 146.44 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 21' ' ' VAL . 15.4 m-85 -142.8 103.33 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.4 141.22 40.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.28 39.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -152.94 79.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.64 -127.27 9.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.87 -19.18 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -115.36 167.63 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.54 147.57 41.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.469 ' CD ' ' HG2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -112.43 140.35 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.438 HG11 ' CE1' ' A' ' 108' ' ' PHE . 70.2 t -118.39 131.09 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.469 ' HG2' ' CD ' ' A' ' 105' ' ' ARG . 3.1 mt-10 -104.96 119.41 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -109.11 106.95 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.9 m -101.87 116.93 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.606 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -117.05 115.77 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 14.1 mt-10 -136.05 107.67 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -143.49 156.61 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.89 123.76 44.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.634 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 5.3 m-85 -94.5 173.91 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -53.71 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -85.81 118.06 25.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.54 -30.91 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.03 -52.03 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.99 -25.0 67.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.14 -51.03 71.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.63 -38.02 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -48.37 81.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.634 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.8 mt -75.23 -46.77 31.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.61 -12.98 37.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -83.12 -54.02 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 14.5 p30 -72.04 -14.97 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -47.56 -45.74 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 3.2 t0 -60.16 -42.38 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -60.77 -50.85 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.06 70.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.21 -29.23 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.24 -43.85 45.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -71.01 -33.74 70.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -70.68 -39.46 73.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.486 HG12 ' CD ' ' A' ' 8' ' ' LYS . 54.8 mt -67.52 -37.23 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.66 67.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.78 -51.72 60.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 86.2 t80 -62.8 -42.74 99.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -51.71 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.73 88.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.12 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.88 91.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.19 -32.6 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -67.55 -38.06 83.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.36 -55.17 6.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.614 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.461 ' NE2' ' OD2' ' A' ' 120' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -125.14 127.04 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.67 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.5 OUTLIER -92.46 127.88 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.595 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.3 138.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.51 116.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.48 ' CG2' ' HD3' ' A' ' 105' ' ' ARG . 1.8 m -110.94 111.58 22.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.35 159.08 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.418 ' HB ' ' NH1' ' A' ' 105' ' ' ARG . 11.8 p -133.11 129.13 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.9 mt -132.05 121.35 17.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 60.22 5.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.97 178.31 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -77.09 160.19 76.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.477 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.98 -1.28 11.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.13 -43.13 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.68 -24.1 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 97' ' ' PHE . 5.1 mt -71.35 -40.37 70.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -36.7 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -30.17 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 138' ' ' PHE . 2.6 mt -72.69 -37.51 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG13 ' CG1' ' A' ' 79' ' ' ILE . 97.8 t -61.5 -27.19 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -113.5 14.83 22.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 21.1 t0 -52.67 -31.05 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 28.1 m -64.56 -11.83 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -145.72 18.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -124.16 -135.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.611 ' CD1' ' OD2' ' A' ' 23' ' ' ASP . 4.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' CH2' ' A' ' 33' ' ' TRP . 3.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.01 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -52.96 -20.91 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.8 tt -129.39 -178.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.531 ' CG2' ' C ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -127.65 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.439 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.522 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.37 154.66 19.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.26 151.34 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 0.763 . . . . 0.0 110.954 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.87 139.68 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 51.0 p -133.86 119.65 19.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER 179.89 -175.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 t-20 61.5 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.52 -150.57 12.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.84 160.28 31.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.05 132.95 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' VAL . 5.4 t70 -129.03 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -39.48 125.22 2.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 38.84 35.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ASP . 52.6 t -148.19 155.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -151.36 132.5 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.411 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 85.3 m -133.21 119.77 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.457 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.5 m -152.69 172.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -81.62 149.39 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.21 107.91 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.83 101.41 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 151.4 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' C ' ' CG2' ' A' ' 35' ' ' THR . 20.5 mt-30 -125.73 168.77 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CA ' HG22 ' A' ' 35' ' ' THR . 0.0 OUTLIER -127.43 126.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.488 ' N ' HG22 ' A' ' 35' ' ' THR . . . -104.66 -81.85 1.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -81.73 43.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -108.7 7.17 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 12.0 t80 62.59 9.01 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -142.59 94.62 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.94 93.29 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 23.0 mt-10 -145.18 153.82 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -106.99 147.52 29.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.4 m-85 -143.87 155.18 44.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.71 142.25 33.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -149.88 156.5 41.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 114.98 20.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.27 140.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG3' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.3 123.57 28.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.485 ' CB ' HD12 ' A' ' 79' ' ' ILE . 1.3 ptt85 -119.91 148.76 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -142.96 119.83 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -87.46 -6.21 58.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -23.32 16.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.58 -22.64 12.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 63.0 37.54 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.79 161.76 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.485 HD12 ' CB ' ' A' ' 72' ' ' ARG . 11.6 mm -134.74 137.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -141.84 139.4 32.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.68 145.27 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.46 162.95 30.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -69.04 134.31 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 tt -123.45 -56.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -127.85 -4.57 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tt -175.52 112.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.1 163.8 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.536 ' ND2' ' CZ2' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -152.67 151.33 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.26 143.6 10.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.536 ' CZ2' ' ND2' ' A' ' 93' ' ' ASN . 36.6 m95 -126.59 107.31 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.78 146.42 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 17' ' ' LEU . 1.2 m-85 -139.12 118.14 12.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -135.67 136.96 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 98' ' ' MET . 18.1 Cg_endo -75.05 151.75 39.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.5 65.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.0 -134.23 11.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.49 -20.11 44.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -112.48 164.95 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.44 147.7 43.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.48 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 38.0 ttm-85 -112.02 136.91 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -116.51 127.69 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.74 116.96 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.475 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 3.3 m-30 -106.16 107.77 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.8 m -107.8 115.76 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -126.3 126.61 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.14 132.64 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CD2' ' CD1' ' A' ' 110' ' ' ILE . 4.7 p90 -149.06 166.1 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.34 119.79 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 11.0 m-85 -98.02 172.63 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -52.22 5.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.3 m -88.19 116.55 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.49 -29.37 49.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.81 -52.74 26.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.86 -26.41 68.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.461 ' OD2' ' NE2' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -56.93 -50.79 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.88 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -47.91 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 6.7 mt -75.16 -42.29 56.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 4' ' ' HIS . . . -64.68 -16.47 62.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.1 -53.43 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 129' ' ' ARG . 6.2 p30 -68.76 -29.12 67.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.67 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -42.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.4 ' N ' HG11 ' A' ' 127' ' ' VAL . 31.2 t70 -63.27 -46.38 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' ASN . 17.4 mmt85 -59.03 -48.69 80.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.73 84.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.48 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.11 -45.94 38.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.575 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.81 -35.33 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.579 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.91 -41.83 90.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.77 -45.31 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.05 77.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 15.1 t -61.37 -50.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CD2' HD11 ' A' ' 20' ' ' LEU . 50.8 t80 -61.22 -38.55 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -51.95 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.79 73.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -36.67 84.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.55 94.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.69 65.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -37.92 79.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.41 -52.16 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.549 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 44.6 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -113.42 120.39 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.74 131.88 54.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.82 136.38 37.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.21 109.29 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -113.14 126.38 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.7 162.84 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.31 125.84 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 138' ' ' PHE . 12.1 mt -129.32 121.93 20.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 55.62 3.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -119.75 -178.84 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -84.5 162.02 52.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.9 -46.58 43.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.15 -29.14 29.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' LEU . 5.9 mt -65.88 -40.62 91.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -37.98 8.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.8 mt-10 -75.31 -28.45 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.576 HD11 ' CZ ' ' A' ' 138' ' ' PHE . 2.0 mt -77.64 -42.93 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG1' ' CD1' ' A' ' 79' ' ' ILE . 69.5 t -58.14 -33.31 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.56 8.91 24.12 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' OD1' ' CG ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -43.45 -40.16 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 39' ' ' THR . 16.0 m -43.44 -25.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -127.56 -45.64 1.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.33 -68.81 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CG ' ' OD1' ' A' ' 23' ' ' ASP . 3.1 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.3 Cg_endo -75.03 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -55.54 -18.28 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.79 178.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -130.27 -91.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.536 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -93.85 153.07 21.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.1 pmm? -159.92 151.12 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.0 135.2 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 HG23 ' CG2' ' A' ' 24' ' ' VAL . 41.0 p -131.43 117.99 19.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -179.36 178.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.46 100.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.07 -144.03 7.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 159.06 43.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.14 123.35 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.63 133.2 36.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.32 -133.12 8.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.433 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -94.08 33.54 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.9 147.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.39 127.63 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 63.8 m -127.46 126.48 42.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.447 HG22 ' CG1' ' A' ' 70' ' ' VAL . 3.8 m -151.75 171.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' CB ' HD12 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -75.5 148.09 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.16 106.83 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.98 100.44 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.76 157.17 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.491 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.2 mt-30 -127.95 179.83 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CA ' HG23 ' A' ' 35' ' ' THR . 0.8 OUTLIER -135.12 122.9 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 35' ' ' THR . . . -114.74 -52.32 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.7 26.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 m -107.08 6.84 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 25.2 t80 59.26 14.47 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.45 106.69 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 91.35 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 12.6 mt-10 -145.79 158.5 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.9 150.91 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 6.9 m-85 -153.48 157.76 40.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.84 143.46 50.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.454 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -144.44 153.61 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.382 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -80.07 110.47 15.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 6.4 p -88.13 135.17 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HG3' ' CG2' ' A' ' 50' ' ' THR . 4.5 mtt180 -127.11 110.22 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -106.84 151.84 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -145.43 118.84 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 3.9 ptpt -91.33 -9.01 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.63 -24.16 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.16 -24.75 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 64.13 37.14 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.69 164.24 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.449 ' CD1' ' CG1' ' A' ' 21' ' ' VAL . 14.5 mm -130.72 139.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -146.37 139.43 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 70' ' ' VAL . 24.5 t -138.08 138.86 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -134.92 172.72 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.27 137.96 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 85' ' ' TYR . 2.4 tt -124.68 -59.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -135.2 -32.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.428 ' CD2' HG22 ' A' ' 68' ' ' THR . 0.3 OUTLIER -152.34 119.83 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -144.49 129.24 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -135.39 108.95 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.25 149.48 17.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.576 ' CH2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.72 129.4 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.54 154.57 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.493 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 7.5 p90 -148.52 141.6 24.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.42 166.04 16.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.79 32.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -158.29 89.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.26 -133.51 12.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.51 -21.06 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.82 167.87 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.62 147.81 26.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 6.4 tmm_? -111.48 127.64 55.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.573 HG13 ' CZ3' ' A' ' 95' ' ' TRP . 58.1 t -121.02 141.63 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 6.8 mt-10 -127.24 123.37 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.85 120.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -109.32 116.87 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.16 114.87 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -149.45 154.35 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -102.98 136.33 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.604 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -114.05 166.27 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -54.33 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -86.59 128.78 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.43 -38.94 74.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.73 -46.89 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.09 -25.26 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.549 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -56.95 -51.18 70.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -72.46 -39.58 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -46.35 90.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.604 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -74.62 -54.03 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.0 -17.34 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -76.25 -52.95 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 129' ' ' ARG . 3.1 p30 -68.1 -22.48 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.426 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.1 -39.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -61.62 -47.6 84.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 126' ' ' ASN . 16.4 mmt180 -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.454 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.58 -43.08 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 135' ' ' ILE . . . -64.27 -30.12 71.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.87 88.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 3.2 ptpt -70.86 -46.13 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 0.807 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -58.2 -43.51 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 131' ' ' ALA . 27.8 mt -60.49 -45.1 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.23 70.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.36 -51.47 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 4.9 t80 -63.4 -41.46 98.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.37 -51.28 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.28 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -35.93 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.27 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -32.5 63.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -69.31 -33.72 73.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -57.39 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.63 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.605 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 8.8 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 9.1 tmm_? -129.38 144.09 51.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.692 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -132.17 128.22 37.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.602 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 6' ' ' VAL . 1.7 p -97.99 148.13 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 5' ' ' VAL . 2.1 t -144.98 103.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -108.65 133.5 52.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' CD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -139.59 162.15 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -137.08 114.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 138' ' ' PHE . 10.5 mt -116.18 119.75 36.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 58.22 4.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 146' ' ' HIS . 36.7 m-85 -139.17 -174.01 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -85.24 161.22 52.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.0 3.13 5.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.94 -47.77 76.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -54.36 -26.87 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 9.1 mt -68.28 -40.02 81.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.71 -37.0 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.19 -28.17 42.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.705 ' CD1' ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -76.17 -34.14 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 79' ' ' ILE . 87.5 t -60.34 -38.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -102.08 22.63 37.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.6 t70 -65.1 -9.95 26.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 21.8 m -78.74 -17.8 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.19 18.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.81 -116.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.653 ' CG1' ' CH2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.03 -39.92 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.653 ' CH2' ' CG1' ' A' ' 31' ' ' VAL . 3.5 p90 -51.25 -23.1 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 tt -119.62 171.66 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -121.08 -94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.575 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -87.96 150.31 22.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 36.2 tpp -159.21 149.06 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -168.0 135.71 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 38.6 p -135.59 122.26 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -179.6 177.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 108.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.6 92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.08 -140.19 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.16 158.14 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -129.88 124.3 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.54 133.03 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.44 -132.14 5.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.465 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -95.5 35.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 t -134.98 148.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.47 135.25 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.411 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 6.5 m -132.33 124.77 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 3.1 m -151.73 172.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.93 146.04 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.41 108.63 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.68 100.45 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.41 155.34 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.25 175.47 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.508 ' CA ' HG23 ' A' ' 35' ' ' THR . 4.0 m -136.18 126.28 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 35' ' ' THR . . . -97.01 -81.09 1.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.74 48.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 36.4 m -109.91 5.14 22.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' A' ' 60' ' ' SER . 53.7 t80 63.74 8.12 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.25 94.26 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 93.21 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -145.07 146.52 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -106.58 150.84 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.92 146.05 33.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.34 140.96 51.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.471 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -151.15 152.45 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 109.2 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 3.9 p -85.21 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -129.75 121.14 26.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -120.02 148.21 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 40.8 t0 -142.13 116.93 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -83.12 -8.58 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -96.62 -23.41 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.31 -22.49 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.577 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 59.68 35.77 22.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.403 ' CB ' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -132.44 167.39 20.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.509 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 1.3 tp -125.3 146.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -152.87 138.26 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' ASN . 70.1 t -138.76 146.82 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -133.26 166.34 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.09 134.83 54.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.05 -56.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -4.73 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 tt -176.71 128.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -147.31 154.44 40.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 81' ' ' VAL . 15.7 m120 -144.19 119.02 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.19 156.4 26.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.55 ' CZ3' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -150.49 149.17 29.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 78' ' ' SER . 1.7 mtt180 -138.2 156.0 48.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 17' ' ' LEU . 5.1 m-30 -90.06 155.48 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -154.21 94.97 2.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 150.88 38.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -153.47 70.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 -137.78 13.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.29 -28.51 61.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.02 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.11 147.12 49.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' MET . 0.7 OUTLIER -116.01 130.04 56.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.55 HG12 ' CZ3' ' A' ' 95' ' ' TRP . 57.6 t -109.02 141.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.9 124.21 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -124.05 111.35 15.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.63 125.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.416 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -114.72 130.86 68.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 42.6 mt-10 -134.66 143.17 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.416 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 7.7 p90 -169.05 160.15 9.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.49 121.65 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.501 ' C ' ' CE ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -101.09 166.83 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.67 -54.92 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -76.31 128.21 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.35 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.7 -51.47 62.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.15 -23.59 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.605 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -58.82 -49.76 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -78.9 -37.05 41.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.1 mt -75.09 -46.36 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -64.52 -12.01 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -84.14 -53.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.461 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 2.3 p30 -70.86 -17.12 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.692 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -52.44 -44.3 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.3 t0 -63.94 -34.16 77.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -68.54 -46.71 68.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.24 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 135' ' ' ILE . . . -61.77 -37.95 86.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.33 97.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.634 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.67 -37.48 87.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.634 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -62.45 -37.36 85.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 131' ' ' ALA . 10.4 mm -69.4 -39.84 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.27 76.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.43 -51.42 51.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 1.6 t80 -57.19 -43.58 82.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.89 -51.61 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.1 75.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -37.09 85.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.58 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.5 -32.46 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -69.68 -37.27 76.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -73.34 -54.75 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 12' ' ' TYR . 4.7 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.628 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 120' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.483 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 8.0 ttp180 -129.59 117.5 20.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.535 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.2 OUTLIER -94.02 131.84 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.624 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 t -108.25 145.91 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.91 118.14 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -124.17 120.07 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 165.13 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 p -133.71 121.04 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.5 116.69 31.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 61.63 5.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.803 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.71 175.33 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 p -62.51 158.85 46.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.7 -39.33 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -50.46 -24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 97' ' ' PHE . 10.2 mt -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -39.44 8.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.65 -28.99 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mt -73.27 -41.47 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG23 ' CE2' ' A' ' 97' ' ' PHE . 48.2 t -60.57 -40.06 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -102.62 22.02 38.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.142 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.34 -13.69 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 39' ' ' THR . 10.7 m -82.84 -17.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 5.5 t70 -126.34 0.71 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.734 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -116.52 -87.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.734 ' O ' ' O ' ' A' ' 26' ' ' ALA . 35.0 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.574 HG12 ' CH2' ' A' ' 33' ' ' TRP . 5.1 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.04 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.58 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.959 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.5 tt -129.81 -175.33 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -135.47 -90.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.586 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -97.15 149.74 19.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 41.3 tpp -150.76 150.13 30.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -162.38 136.65 6.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.456 HG22 ' CG2' ' A' ' 24' ' ' VAL . 30.5 p -135.72 115.71 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.68 -177.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.6 m-20 68.24 86.61 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -139.81 3.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 158.24 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.27 121.58 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -131.04 131.11 44.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.39 -131.09 9.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 74' ' ' LYS . . . -94.94 36.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -136.22 148.59 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.41 128.47 16.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 24.1 m -126.15 125.24 42.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.0 m -152.06 172.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 137.22 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.27 108.56 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -95.17 101.85 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.65 149.12 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -121.95 179.07 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 35' ' ' THR . 3.6 m -137.69 127.55 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.459 ' N ' HG21 ' A' ' 35' ' ' THR . . . -105.75 -73.22 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.23 41.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 12.5 m -108.62 6.5 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 37.1 t80 60.93 10.34 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.81 94.9 2.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 93.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.31 161.09 40.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 9.6 pttp -124.98 148.52 48.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -145.52 164.47 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.57 142.97 33.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.474 ' HA ' ' HB3' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -147.31 152.64 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.372 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.28 108.18 7.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.77 129.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -116.14 126.22 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.477 ' CB ' HD12 ' A' ' 79' ' ' ILE . 2.3 ptm180 -123.17 149.85 44.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -146.85 121.01 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -6.88 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.26 -23.69 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.91 -23.72 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 64.35 39.84 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.98 158.45 42.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.484 HG13 ' CG1' ' A' ' 21' ' ' VAL . 1.1 mm -134.87 141.78 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.57 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 69' ' ' ARG . 21.4 t -135.33 134.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 68' ' ' THR . 4.4 m -129.85 164.81 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 2.3 mp -60.44 143.05 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.644 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.36 -59.85 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.525 ' O ' ' C ' ' A' ' 86' ' ' GLY . 83.7 t80 -133.89 -32.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 150.12 51.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.46 158.31 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.54 147.31 10.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.701 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 79.9 m95 -118.37 110.1 17.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -104.35 146.24 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 21' ' ' VAL . 41.4 m-85 -135.5 124.88 24.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.21 116.42 9.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.44 41.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -153.22 70.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.9 -143.61 16.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.39 -28.73 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.74 167.66 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.4 147.43 48.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -110.12 129.68 55.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 97' ' ' PHE . 59.3 t -119.61 137.77 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.46 123.57 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.701 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 7.0 t80 -111.56 118.42 35.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.86 125.18 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.574 HG23 ' CZ ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -118.86 120.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -136.63 122.33 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.503 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 4.7 p90 -151.85 163.3 39.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.76 121.11 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' CD1' ' A' ' 123' ' ' LEU . 10.6 m-85 -96.47 172.7 7.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -47.28 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -92.16 118.31 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.22 -28.3 62.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.03 -51.52 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.82 -25.01 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.56 -51.66 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -75.5 -36.63 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.64 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.577 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 3.3 mt -74.8 -44.23 50.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -67.24 -12.36 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -82.51 -53.73 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 7.9 p30 -71.82 -20.76 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.535 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.1 -43.93 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 2.6 t0 -62.21 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 19.1 mmt180 -61.63 -52.54 63.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.95 72.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.07 74.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.81 -44.77 88.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.496 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 1.1 pttt -68.89 -39.3 79.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.58 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.97 -38.93 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.74 76.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 19.1 t -64.89 -51.23 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.563 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t80 -63.02 -42.1 99.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -48.41 80.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.55 -42.23 82.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -35.22 80.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.73 94.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.82 -32.94 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.79 -34.36 75.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.56 -55.88 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -128.42 118.01 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.59 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -104.32 128.31 52.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.56 143.85 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.14 139.39 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.69 132.13 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.56 ' HG2' ' N ' ' A' ' 9' ' ' VAL . 22.7 ttpt -136.68 152.09 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.56 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 8.1 p -138.49 122.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 37.3 mt -122.67 119.65 28.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.91 5.32 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.2 173.88 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -63.81 160.52 44.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.18 -45.12 77.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.5 -29.3 24.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 97' ' ' PHE . 8.8 mt -66.72 -40.9 88.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.64 -36.32 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.5 -30.54 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.593 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.8 mt -72.39 -39.58 67.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG21 ' CE2' ' A' ' 97' ' ' PHE . 57.5 t -60.28 -30.42 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -107.33 24.99 23.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.49 -10.27 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 23.2 m -78.21 -16.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.04 21.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.55 -111.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 34.7 p90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG13 ' CH2' ' A' ' 33' ' ' TRP . 6.6 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.05 -20.25 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 108.03 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.9 tt -131.07 -178.38 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -123.69 -90.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.556 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -104.01 150.05 17.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 44.6 tpp -156.58 150.99 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.54 134.82 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 24.4 p -135.25 123.75 23.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.09 179.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.023 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 0.8 OUTLIER 63.78 93.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.25 -148.59 6.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.77 150.95 52.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.36 121.86 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.41 128.28 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.8 -126.97 14.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 37.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 49' ' ' SER . 31.7 t -136.6 147.79 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.406 ' N ' HG11 ' A' ' 48' ' ' VAL . 16.8 m -146.65 116.59 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.481 ' CG2' ' CD ' ' A' ' 69' ' ' ARG . 9.3 m -115.79 134.77 54.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.404 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.6 m -151.73 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.94 138.94 44.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -119.02 106.73 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -99.0 101.45 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.66 153.06 23.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.507 ' C ' ' CG2' ' A' ' 35' ' ' THR . 18.9 mt-30 -127.33 172.41 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.425 ' CA ' HG22 ' A' ' 35' ' ' THR . 0.0 OUTLIER -132.86 125.03 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.449 ' N ' HG22 ' A' ' 35' ' ' THR . . . -124.6 -54.36 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -7.87 44.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 46.3 m -84.92 5.78 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 14.1 t80 59.53 12.41 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -125.88 96.04 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 92.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 14.1 mt-10 -145.47 157.69 43.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -125.95 147.06 49.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 64' ' ' GLU . 7.7 m-85 -151.54 152.5 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.22 142.9 51.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.505 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.8 p -145.15 160.12 41.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' CD ' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.38 111.43 17.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.54 120.82 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -106.59 128.7 54.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.466 ' CG ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -115.52 150.48 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -146.62 131.47 18.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -12.58 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -23.8 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.0 -21.52 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.15 159.88 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.466 HD12 ' CG ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -129.17 144.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -138.16 141.41 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.1 t -137.36 122.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -117.92 152.97 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' C ' ' CD2' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -68.63 134.87 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.667 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.71 -60.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.497 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 9.9 t80 -134.36 -4.8 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 66' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.18 117.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -141.91 141.65 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -133.52 132.11 40.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.476 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -134.15 138.47 10.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 108' ' ' PHE . 23.2 m95 -128.59 108.66 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -111.06 145.97 37.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 21' ' ' VAL . 16.8 m-85 -142.81 98.87 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.34 129.77 25.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.05 36.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -145.82 63.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.41 -132.48 11.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.69 -20.64 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -109.69 158.38 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.94 148.46 33.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -108.21 133.32 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -121.09 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -108.05 118.22 36.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 1.5 m-30 -103.93 106.78 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' CA ' ' A' ' 94' ' ' GLY . 1.1 m -106.28 118.95 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 110' ' ' ILE . 0.4 OUTLIER -119.34 133.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.93 126.99 33.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' HB2' ' NE2' ' A' ' 2' ' ' HIS . 1.5 m-85 -134.11 171.19 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 90' ' ' ARG . . . -141.44 121.54 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -126.9 160.94 29.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -42.83 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -83.82 109.97 17.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.43 -25.33 24.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.12 -56.58 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.9 -24.29 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.0 OUTLIER -61.82 -51.57 67.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.51 -34.28 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -49.86 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 9.2 mt -76.11 -47.19 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.582 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . . . -61.98 -15.37 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -76.87 -53.68 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 127' ' ' VAL . 12.0 p30 -67.66 -25.22 65.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -46.76 -41.99 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 127' ' ' VAL . 43.7 t0 -63.86 -43.11 97.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -61.07 -46.86 88.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 33' ' ' TRP . . . -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.23 -29.94 70.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.33 -45.3 48.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.572 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.28 -35.0 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.585 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -66.87 -41.98 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.528 ' CG2' ' HD3' ' A' ' 8' ' ' LYS . 19.5 mt -63.3 -41.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.59 78.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.8 t -63.37 -52.0 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.243 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.593 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 84.3 t80 -58.62 -38.1 77.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.0 -51.82 62.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.08 77.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.33 93.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -32.64 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -67.21 -36.6 82.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -54.35 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.537 ' CD2' ' N ' ' A' ' 2' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -122.89 119.29 30.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -96.33 131.8 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -110.64 145.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -145.88 131.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -126.07 120.69 30.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -125.47 160.02 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.23 127.69 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 138' ' ' PHE . 11.0 mt -127.49 114.38 21.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.95 61.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.462 ' CD1' ' CD2' ' A' ' 146' ' ' HIS . 15.2 m-85 -134.42 177.24 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -65.65 160.71 58.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.03 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.09 -45.09 71.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mm-40 -50.71 -23.75 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 97' ' ' PHE . 8.4 mt -64.78 -48.17 75.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -34.83 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.27 -29.13 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 138' ' ' PHE . 1.9 mt -75.7 -46.77 29.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' CG1' ' CG1' ' A' ' 79' ' ' ILE . 88.7 t -61.28 -37.94 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.55 23.1 33.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.631 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 24.4 t0 -65.1 -11.55 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 35.7 m -85.06 -11.22 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.78 21.12 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -119.96 -102.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 12.1 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 20.0 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HB2' ' CD2' ' A' ' 59' ' ' PHE . 18.4 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.564 1.823 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.551 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 1.1 p-90 -44.97 -26.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.471 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -119.44 167.45 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -126.05 -91.08 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.3 154.42 20.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -159.33 151.49 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.05 136.03 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.451 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 40.3 p -135.49 121.15 19.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.3 -175.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 107.972 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 m-20 61.17 95.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.49 -140.05 5.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 157.66 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.33 122.72 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -133.8 129.76 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.94 -132.72 17.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.63 28.21 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.0 t -127.06 148.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.44 130.12 20.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 88.8 m -127.47 122.9 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.2 m -152.23 172.76 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' CB ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.98 143.81 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . . . -126.48 108.12 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -97.95 101.05 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.0 154.66 19.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.456 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.6 mt-30 -125.51 178.94 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 35' ' ' THR . 5.5 m -138.47 122.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' HG21 ' A' ' 35' ' ' THR . . . -116.13 -42.94 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -85.26 14.93 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 48.1 m -101.11 6.28 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 59.3 t80 58.6 13.98 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.66 125.58 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 93.15 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 12.6 mt-10 -144.58 140.94 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 147.11 38.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.644 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -146.9 152.02 37.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 142.42 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.407 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -145.2 154.63 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -76.84 109.15 10.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 53' ' ' ALA . 2.4 p -90.3 133.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -125.86 114.32 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.493 ' CB ' HD12 ' A' ' 79' ' ' ILE . 8.2 ptm180 -112.37 150.99 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -147.21 118.56 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.54 -7.19 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.32 -24.35 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.57 -23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.35 36.84 8.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.51 159.35 38.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.493 HD12 ' CB ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -134.47 143.85 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.61 141.23 26.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 93' ' ' ASN . 59.8 t -132.22 137.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -135.5 173.87 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.59 137.07 58.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 85' ' ' TYR . 2.8 tt -123.99 -59.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -136.26 -33.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.95 113.52 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -140.75 143.08 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.461 ' CB ' ' HB ' ' A' ' 81' ' ' VAL . 1.1 m-20 -134.26 110.78 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' HG22 ' A' ' 109' ' ' VAL . . . -113.33 135.81 12.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 25.3 m95 -129.66 106.58 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -107.21 153.71 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CD2' HD21 ' A' ' 17' ' ' LEU . 1.7 m-85 -145.13 103.83 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.51 128.83 25.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 151.08 38.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -145.44 64.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.91 -132.51 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -19.45 42.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -108.0 167.69 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.53 147.74 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.65 135.36 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.28 129.43 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.8 118.19 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.4 m-85 -103.03 106.93 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.469 HG22 ' CA ' ' A' ' 94' ' ' GLY . 2.0 m -108.01 114.32 46.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.56 ' CD1' ' CD2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -111.5 129.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -136.0 118.46 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CD2' ' CD1' ' A' ' 110' ' ' ILE . 7.1 p90 -144.43 173.37 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.99 122.98 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 2.8 m-85 -100.98 169.09 9.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -53.85 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 m -84.57 125.84 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.39 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.11 -25.12 64.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.52 -51.56 69.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.25 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -48.04 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.572 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -75.05 -43.73 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -65.68 -14.15 60.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.85 -53.99 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 11.0 p30 -70.21 -24.73 63.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.38 -40.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.8 -48.74 77.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -56.25 -48.03 77.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.94 76.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.0 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.66 79.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -72.51 -43.21 63.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.551 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -60.78 -42.81 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.83 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.7 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.2 t -63.0 -51.08 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.576 ' CD2' HD12 ' A' ' 10' ' ' LEU . 16.7 t80 -61.49 -41.39 97.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -42.01 95.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.24 89.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.31 85.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.7 62.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.99 -35.26 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.52 -55.55 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.462 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 5.4 m-70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.607 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 6.7 m-70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 21.8 ttp-105 -135.72 145.23 46.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -136.96 137.35 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.9 143.73 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.7 129.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -124.16 113.67 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.77 157.99 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 103' ' ' ALA . 50.6 t -131.74 128.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 53.8 mt -132.32 114.65 14.79 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.438 ' CA ' ' HB3' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.01 60.25 5.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 18.0 m-85 -121.99 162.24 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -53.7 161.72 1.55 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.99 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -74.83 -47.18 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -52.81 -24.57 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 11.6 mt -67.99 -43.59 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.98 -35.86 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.58 -32.95 58.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 3.3 mt -72.57 -44.85 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG22 ' CD1' ' A' ' 97' ' ' PHE . 58.3 t -59.06 -41.73 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.03 22.29 33.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.629 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 22.5 t0 -55.66 -31.54 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 m -49.26 -26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ALA . 25.1 t0 -122.09 -48.39 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.35 -87.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 18.4 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.625 ' CG1' ' CZ2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.4 Cg_endo -74.92 -41.28 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.625 ' CZ2' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -47.86 -25.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -123.06 177.4 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -125.31 -93.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.79 151.3 19.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 2.5 tpt -157.51 144.19 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -156.75 132.59 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 p -133.79 117.31 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.413 ' N ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER 177.91 178.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 66.01 98.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.05 -144.03 6.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -139.44 158.62 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.22 121.55 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -132.49 133.22 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.31 -129.43 8.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -97.95 37.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.93 148.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.2 p -146.65 125.45 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 21.2 m -122.95 133.68 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 40' ' ' TRP . 3.6 m -151.43 172.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -77.72 135.96 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . . . -116.29 107.42 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 102.43 13.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.45 153.17 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 9.7 mt-30 -125.51 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 35' ' ' THR . 2.9 m -136.96 123.35 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' HG21 ' A' ' 35' ' ' THR . . . -125.76 169.94 17.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.9 16.05 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.711 ' C ' ' CG ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -107.07 5.51 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.711 ' CG ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 64.41 6.24 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' CD1' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -134.45 107.72 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 100.02 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 2.7 mm-40 -139.14 142.76 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.61 156.72 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -159.21 153.02 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.96 143.72 51.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.425 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -145.53 152.85 40.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.28 111.87 12.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 53' ' ' ALA . 14.5 p -101.12 128.2 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' ASP . 6.9 ptm180 -118.49 134.44 55.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.49 ' CG ' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -124.88 148.05 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.71 122.29 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -88.3 -11.28 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.75 -24.13 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.24 -25.98 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.61 37.49 7.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.67 164.46 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.492 ' CG1' HG13 ' A' ' 21' ' ' VAL . 6.9 mm -139.82 137.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 5.8 t0 -136.54 148.3 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 70' ' ' VAL . 42.8 t -142.13 131.65 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -135.28 166.63 22.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 2.8 mp -57.07 140.84 47.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -123.21 -56.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.514 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -135.96 -33.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.22 132.18 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.92 153.22 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -140.05 140.89 36.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 133.51 5.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.568 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 26.6 m95 -130.08 115.07 16.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -113.2 140.59 47.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -142.04 120.64 12.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.09 131.96 8.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.23 35.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.13 175.15 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.42 -129.61 1.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -103.39 -19.98 14.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HB3' ' CA ' ' A' ' 11' ' ' PRO . . . -129.15 165.19 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.57 148.46 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -114.54 135.22 54.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -117.32 123.9 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -98.71 119.28 37.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -112.26 107.96 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.42 114.33 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -110.14 135.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -148.62 168.32 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.04 119.57 19.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' A' ' 123' ' ' LEU . 10.0 m-85 -99.01 174.22 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -53.52 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.0 125.17 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.22 -28.27 69.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.57 -51.6 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.23 -25.61 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.607 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -58.34 -51.21 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.06 -37.84 57.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -47.09 87.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' A' ' 114' ' ' PHE . 8.0 mt -74.24 -48.48 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.69 -12.97 38.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -81.36 -54.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.4 p30 -69.16 -21.24 64.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -42.76 -44.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 12.2 t70 -60.82 -46.66 89.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ASN . 7.3 mmt180 -56.54 -48.29 77.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.28 -41.89 76.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.19 -29.77 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.12 84.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.6 ptpt -72.81 -47.58 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.6 -43.48 80.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 134' ' ' LEU . 21.7 mt -61.64 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.07 70.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.68 -51.36 67.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 76.7 t80 -64.59 -40.84 96.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -50.2 74.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.95 84.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -36.04 82.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -64.67 -42.85 95.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -32.57 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.54 -32.67 71.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -53.95 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.595 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 21.7 m-70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -131.34 152.51 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.558 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -138.68 134.28 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 138.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 135' ' ' ILE . 2.1 t -137.06 110.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -123.86 127.26 47.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CE ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -133.58 172.01 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -135.14 119.54 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.91 113.86 44.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 77.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.821 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -173.34 -174.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 146' ' ' HIS . 36.9 p -73.74 145.21 84.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.489 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.02 2.87 6.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -51.59 -44.69 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.507 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 67.0 mm-40 -56.15 -31.49 63.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 ' CB ' ' A' ' 14' ' ' PRO . 9.1 mt -64.76 -37.7 88.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -47.69 -37.64 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.23 -29.27 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.7 mt -75.32 -40.54 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 97' ' ' PHE . 84.7 t -61.88 -26.92 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -111.89 5.77 27.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -46.58 -44.43 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' MET . 26.0 m -45.62 -24.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 23' ' ' ASP . 25.3 t0 -119.77 -65.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -37.91 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CD2' ' CG ' ' A' ' 23' ' ' ASP . 8.5 m-30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.612 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 16.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.629 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 3.4 p90 -48.27 -24.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CG2' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -116.26 -174.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.611 ' CG2' ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -135.04 -86.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.611 ' H ' ' CG2' ' A' ' 35' ' ' THR . . . -90.83 151.8 21.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 56.0 tpp -152.91 148.73 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 134.63 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.476 HG23 ' CG2' ' A' ' 24' ' ' VAL . 38.6 p -135.53 118.56 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.67 179.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m-20 67.34 94.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 173.82 -134.77 2.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.39 161.9 40.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.27 125.29 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -134.33 134.85 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.77 -128.08 6.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.13 39.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 19.7 t -139.2 149.52 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.467 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 1.4 m -141.7 129.12 21.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.417 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 95.8 m -125.75 123.33 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.6 m -152.46 172.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 142.29 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.23 108.22 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.69 108.68 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.9 167.87 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CB ' HG21 ' A' ' 35' ' ' THR . 39.9 mt-30 -126.95 176.5 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.513 ' C ' HG22 ' A' ' 35' ' ' THR . 0.0 OUTLIER -131.02 122.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 35' ' ' THR . . . -92.89 -84.98 1.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.12 48.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 1.1 p -108.71 3.59 22.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' SER . 13.7 t80 74.26 -2.42 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.34 103.45 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 93.05 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -145.26 163.38 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 149.82 33.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -143.26 158.46 43.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.13 142.67 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -149.77 175.28 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.9 ttp180 -96.82 108.67 21.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.64 136.82 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -128.59 118.73 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' CB ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -116.49 150.27 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.452 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 39.7 t0 -147.09 128.98 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -11.67 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -26.11 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.77 -22.29 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 60.78 36.39 19.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.11 159.65 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.483 HD13 ' CB ' ' A' ' 72' ' ' ARG . 2.1 mm -133.9 137.45 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -143.97 140.99 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 82' ' ' SER . 55.6 t -135.79 145.46 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 81' ' ' VAL . 5.5 m -133.11 157.1 46.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.3 OUTLIER -65.74 133.66 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 83' ' ' LEU . 1.3 tt -123.28 -58.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.72 -5.12 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' A' ' 68' ' ' THR . 0.4 OUTLIER -176.5 138.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.8 145.81 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.09 155.07 41.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.68 151.39 8.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.809 ' CZ2' ' CZ ' ' A' ' 108' ' ' PHE . 5.2 m95 -124.69 152.91 43.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -136.65 144.92 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.586 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.4 m-85 -139.23 112.83 8.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.7 135.22 27.18 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.69 36.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -148.08 63.71 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.29 -135.07 12.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.26 -27.6 60.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.83 161.7 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.67 147.32 40.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 9.9 tmm_? -109.62 130.9 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 17' ' ' LEU . 59.5 t -120.62 138.49 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 19.2 mt-10 -129.86 130.82 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.809 ' CZ ' ' CZ2' ' A' ' 95' ' ' TRP . 9.6 t80 -125.47 123.29 38.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -107.3 133.11 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.573 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 1.5 pp -124.19 126.86 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -136.46 138.77 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 4.1 p90 -168.78 160.87 10.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.11 128.37 56.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -106.73 164.51 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.509 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.14 -53.97 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -79.01 129.28 34.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -50.25 63.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.62 -26.04 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.595 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -56.93 -49.17 76.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -78.3 -38.3 42.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.636 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -72.77 -47.14 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.92 -12.58 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -82.91 -53.83 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.472 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 11.5 p30 -70.66 -21.04 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -45.64 -44.87 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 31.8 t70 -62.76 -40.96 98.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -61.02 -46.66 89.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.85 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.44 -43.97 98.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -67.34 -36.53 81.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.629 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.32 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.46 ' CD1' HG11 ' A' ' 6' ' ' VAL . 56.0 mt -75.15 -43.39 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.59 -49.78 17.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.543 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 27.9 t80 -58.37 -33.66 69.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.99 -51.54 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.66 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -34.72 77.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 138' ' ' PHE . . . -65.4 -42.14 92.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.37 -32.64 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.08 -36.53 77.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.06 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . 0.447 ' NE2' ' OG1' ' A' ' 13' ' ' THR . 9.1 m-70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.561 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 23.8 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -135.78 135.27 39.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -130.78 141.86 50.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -115.52 147.78 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.49 ' CG1' HD11 ' A' ' 135' ' ' ILE . 1.1 t -140.66 116.29 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -122.41 122.36 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 168.96 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.3 128.76 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 138' ' ' PHE . 4.3 mt -131.92 125.78 20.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 61.77 5.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 142' ' ' ALA . 83.2 m-85 -127.88 -179.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -81.84 161.39 61.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' CA ' HD11 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.01 0.94 8.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 52.8 t0 -71.74 -46.08 59.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' A' ' 145' ' ' LEU . 2.9 mm-40 -50.63 -22.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' CG ' ' A' ' 97' ' ' PHE . 10.4 mt -66.72 -48.1 70.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -45.21 -33.07 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mt-10 -77.48 -37.02 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 138' ' ' PHE . 1.5 mt -70.05 -45.14 67.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG1' ' CD1' ' A' ' 79' ' ' ILE . 61.7 t -62.86 -32.06 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.2 3.53 56.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 11.9 t0 -53.16 -35.7 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 39' ' ' THR . 35.5 m -63.49 -13.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.34 9.67 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -131.69 -131.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' O ' HG21 ' A' ' 31' ' ' VAL . 23.8 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.4 Cg_endo -75.01 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CZ3' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -45.2 -29.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 108.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.4 tt -116.43 167.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -121.23 -91.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.581 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.9 155.49 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.6 151.68 22.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 130.0 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' HG21 ' A' ' 24' ' ' VAL . 46.9 p -130.63 118.9 21.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.439 ' N ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER 179.11 179.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.14 90.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -177.3 -138.16 2.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -143.94 155.16 43.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 p -130.93 120.45 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -132.38 134.03 44.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.41 -134.13 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.14 35.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.19 147.26 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.51 144.07 32.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.441 ' OG1' ' CG ' ' A' ' 71' ' ' ARG . 53.4 m -142.41 124.3 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 40' ' ' TRP . 3.1 m -152.1 172.56 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 143.05 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.08 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.15 103.44 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.41 154.65 23.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -122.38 -179.96 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.483 ' CA ' HG22 ' A' ' 35' ' ' THR . 0.1 OUTLIER -138.08 125.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 35' ' ' THR . . . -118.37 -39.76 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -93.82 20.01 8.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.4 t -104.58 5.48 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 35.6 t80 59.65 12.09 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tp -136.05 100.57 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.25 92.25 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -145.01 162.37 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.29 159.9 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 2.8 m-85 -152.51 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.86 144.04 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 4.1 p -149.84 178.52 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.46 106.08 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 51' ' ' VAL . 2.6 p -87.12 140.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CG ' ' OG1' ' A' ' 50' ' ' THR . 0.3 OUTLIER -132.18 120.21 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 79' ' ' ILE . 13.0 mtt180 -115.53 145.9 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.83 119.39 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.15 -6.82 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.3 -24.26 15.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.6 -21.97 13.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.75 37.13 12.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.8 157.95 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CD1' ' CG1' ' A' ' 21' ' ' VAL . 2.1 mm -130.92 135.44 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -139.35 141.53 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASN . 13.4 t -139.09 124.57 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.8 m -109.22 150.53 27.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -69.23 142.8 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt -119.2 -55.68 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.548 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -134.49 -37.16 0.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 68' ' ' THR . 6.8 tt -171.05 153.95 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -160.18 153.95 22.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.1 m-20 -159.65 143.22 14.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.14 148.79 14.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.749 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 54.6 m95 -123.9 146.11 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 mmm180 -133.26 148.54 51.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.519 ' CG ' HD21 ' A' ' 17' ' ' LEU . 1.3 m-85 -137.14 100.64 4.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.19 31.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.13 40.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -151.05 74.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.33 -134.26 11.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.86 -24.47 41.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.771 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.51 166.62 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.33 147.99 43.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -110.63 132.75 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.69 138.6 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.41 129.83 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.749 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.1 t80 -123.83 120.49 32.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.0 m -107.22 116.18 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -105.74 138.08 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 15.5 mt-10 -136.14 143.52 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -168.84 156.58 7.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.64 125.07 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.652 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 6.1 m-85 -101.23 167.87 9.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -91.51 -51.89 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.57 130.62 35.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.31 76.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.41 -48.53 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.55 -25.61 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.561 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -57.31 -51.11 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.2 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -43.63 77.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.652 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -75.07 -44.15 49.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.35 -14.89 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.3 -54.05 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 5.1 p30 -68.43 -25.62 65.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.45 -40.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -47.99 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' ASN . 11.1 mmt180 -58.52 -49.46 77.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.43 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.08 -46.51 27.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CE ' ' CB ' ' A' ' 33' ' ' TRP . 8.1 pttt -65.6 -41.94 92.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.604 ' CD1' ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -59.6 -48.89 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.604 ' N ' ' CD1' ' A' ' 134' ' ' LEU . 23.0 mt -58.14 -39.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.92 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 134' ' ' LEU . 40.7 t -62.51 -52.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 4.0 t80 -58.35 -39.84 80.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.14 -51.5 63.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.75 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 27' ' ' TYR . 1.1 mtt-85 -64.48 -39.63 94.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.433 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -74.12 -32.86 63.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.419 HD11 ' NE2' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -76.89 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 17.0 m-70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -135.01 146.46 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.0 135.46 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 t -113.35 144.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 135' ' ' ILE . 0.7 OUTLIER -138.81 121.68 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -122.58 111.72 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HE2' ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -116.68 161.98 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.34 130.75 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 10.9 mt -135.47 128.94 18.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.7 6.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 14.5 m-85 -127.57 175.58 8.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 p -74.42 162.34 74.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -18.93 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.16 -39.97 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -52.48 -29.58 25.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 97' ' ' PHE . 31.0 mt -63.96 -41.72 97.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.6 -38.05 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.2 mt-10 -79.21 -26.42 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' CD1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -74.89 -45.52 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.591 HG23 ' CE2' ' A' ' 97' ' ' PHE . 33.3 t -62.09 -28.32 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -110.31 7.45 30.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.593 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 13.0 t0 -44.54 -34.46 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' CG2' ' CG2' ' A' ' 39' ' ' THR . 33.1 m -49.26 -21.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -136.71 -52.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -33.98 -63.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' OD2' ' A' ' 23' ' ' ASP . 3.3 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.516 HG11 ' CZ2' ' A' ' 33' ' ' TRP . 6.0 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.45 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.5 Cg_endo -74.97 -28.81 8.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.533 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.5 OUTLIER -62.93 -14.52 48.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.07 -174.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -130.92 -96.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.524 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.03 149.41 19.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.79 151.6 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 111.055 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 135.56 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -135.36 116.83 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -178.61 179.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.24 94.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.71 -140.31 3.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -139.22 159.62 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.39 117.54 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.01 129.77 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.09 -127.31 11.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.469 ' HB2' ' CG ' ' A' ' 74' ' ' LYS . . . -99.21 34.56 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.37 146.86 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 19.3 m -138.55 122.7 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.466 ' OG1' ' CG ' ' A' ' 71' ' ' ARG . 97.7 m -117.71 129.74 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 3.9 m -152.04 172.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.84 136.29 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.99 108.39 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -103.51 101.41 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 158.46 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' C ' ' CG2' ' A' ' 35' ' ' THR . 32.5 mt-30 -134.88 166.61 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CA ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -126.63 125.99 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' N ' HG21 ' A' ' 35' ' ' THR . . . -110.89 -58.85 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.3 32.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.5 m -107.39 6.7 28.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 80.7 t80 60.01 12.09 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.05 94.5 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.74 92.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -145.75 138.66 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 5.6 mttt -95.68 151.73 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.5 m-85 -143.74 153.45 42.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.6 p -151.21 167.03 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 113.31 25.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 2.3 p -90.81 141.95 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.466 ' CG ' ' OG1' ' A' ' 50' ' ' THR . 4.5 mtp180 -136.0 112.52 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.4 OUTLIER -109.47 152.93 24.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -136.18 131.83 35.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 23.6 pttt -94.56 -13.5 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -98.36 -22.6 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.22 -22.32 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 35.48 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 164.19 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.05 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.484 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.63 152.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' ARG . 35.4 t70 -146.62 136.18 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 48.2 t -133.3 124.81 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -117.99 150.51 39.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.495 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -62.62 134.7 56.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 -58.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -134.69 -0.51 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -177.29 131.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -147.8 140.28 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 108' ' ' PHE . 33.8 t30 -131.79 125.54 32.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.11 143.06 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.734 ' CE2' ' CE1' ' A' ' 108' ' ' PHE . 73.9 m95 -114.66 147.59 39.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -141.08 145.16 35.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE2' HG23 ' A' ' 21' ' ' VAL . 9.2 m-85 -152.24 111.15 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.9 132.33 23.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.08 37.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -148.73 65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.1 -136.05 12.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.65 -23.84 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.01 159.21 16.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.12 147.7 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -106.74 127.96 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.498 ' CG2' ' NZ ' ' A' ' 8' ' ' LYS . 56.5 t -122.42 134.31 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.734 ' CE1' ' CE2' ' A' ' 95' ' ' TRP . 24.0 t80 -123.82 119.59 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.73 114.96 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -110.55 136.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.469 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 17.6 mt-10 -135.61 140.42 44.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.88 157.69 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.48 120.33 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 1.9 m-85 -97.52 161.22 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.98 -53.87 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 m -78.92 123.28 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.44 76.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.84 -51.61 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.6 -26.8 68.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 2' ' ' HIS . 1.4 t0 -55.88 -51.52 67.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -75.78 -38.19 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -47.63 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -74.67 -49.2 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.55 -13.24 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -80.94 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.0 p30 -70.1 -23.0 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.469 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.25 -37.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.32 -53.19 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.0 mpt_? -54.89 -47.16 74.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.91 -43.23 81.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -67.11 -26.65 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.84 -41.84 61.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 2.2 ptpt -71.89 -45.91 59.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -56.8 -43.75 81.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.425 ' CD1' HG13 ' A' ' 6' ' ' VAL . 55.6 mt -61.54 -47.21 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.0 72.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.03 -50.63 71.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CD1' HD23 ' A' ' 20' ' ' LEU . 1.7 t80 -60.26 -39.52 87.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.91 -52.16 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.16 83.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -35.96 82.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.599 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -64.66 -43.15 94.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -32.75 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.35 -49.69 25.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 2' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.502 0.191 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.3 OUTLIER -62.61 121.58 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CB ' ' HG2' ' A' ' 111' ' ' GLU . 8.0 ttp180 -104.74 128.28 52.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.493 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -103.54 130.75 51.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.22 130.47 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.4 t -130.62 105.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -109.15 139.68 43.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.73 158.4 43.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 73.8 t -136.36 132.6 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 138' ' ' PHE . 4.0 mt -139.78 129.84 14.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 64.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 81.7 m-85 -130.76 167.26 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.4 p -72.09 161.05 80.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.0 -0.92 10.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.69 -48.69 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -27.95 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 14' ' ' PRO . 10.0 mt -68.97 -38.96 79.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.28 -37.65 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.47 -28.84 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -74.93 -35.94 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 97' ' ' PHE . 75.7 t -61.36 -38.17 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.55 14.94 59.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 35.9 t70 -50.17 -19.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.488 ' O ' ' CG ' ' A' ' 37' ' ' MET . 7.0 m -67.05 -17.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.22 25.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -108.12 -94.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 29.4 m-85 54.34 90.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' HG2' ' CD ' ' A' ' 141' ' ' ARG . 18.1 Cg_endo -74.99 -2.27 12.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -75.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -179.51 -173.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.603 HG11 ' CE3' ' A' ' 33' ' ' TRP . 9.3 t -160.36 109.04 1.37 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.604 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -56.37 -21.65 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.482 ' CG2' HG13 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -120.78 179.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -135.17 -91.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.538 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -88.29 150.04 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 6.0 tmm? -151.67 150.06 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 37' ' ' MET . 1.3 ttt180 -168.44 131.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -136.22 119.1 16.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -178.57 -179.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.035 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 2.8 m-20 63.51 97.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.08 -136.21 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -150.04 155.86 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.18 122.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.06 132.24 43.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.01 -132.44 6.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -93.76 35.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.3 t -135.63 149.42 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.1 m -145.22 136.93 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 16.1 m -136.09 123.04 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.448 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' C ' ' A' ' 50' ' ' THR . 2.5 m -151.5 171.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.37 145.34 47.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -127.84 108.85 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.29 101.39 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.39 154.14 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 3.8 mt-30 -123.25 179.31 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CA ' HG23 ' A' ' 35' ' ' THR . 3.5 m -136.62 121.83 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' N ' HG23 ' A' ' 35' ' ' THR . . . -85.85 -93.79 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -75.65 54.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.8 t -107.39 1.81 23.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 60' ' ' SER . 7.5 t80 77.5 -6.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 2.7 tt -142.52 96.88 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 93.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 8.5 mt-10 -144.64 166.13 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -121.02 162.41 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -153.1 146.4 24.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.74 143.42 49.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.8 OUTLIER -154.68 156.64 36.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -80.59 106.21 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.437 ' CG1' ' HB3' ' A' ' 53' ' ' ALA . 4.1 p -88.28 128.49 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -121.53 114.5 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 144.74 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -137.05 129.96 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.92 -13.39 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -25.53 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.27 -23.77 15.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 61.1 35.92 18.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.4 159.28 39.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.463 ' CD1' HG12 ' A' ' 21' ' ' VAL . 8.1 mm -128.07 138.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -141.41 140.09 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 93' ' ' ASN . 79.0 t -135.55 120.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -103.36 162.51 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -78.76 137.93 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 85' ' ' TYR . 3.8 tt -120.54 -56.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -134.87 -39.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . 24.04 -140.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.0 3.17 5.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER 73.86 45.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.961 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.48 -56.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 172.98 147.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -174.81 106.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -115.11 148.03 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -155.52 136.4 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 147.34 17.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.531 ' CZ3' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -130.39 133.08 46.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -139.19 153.14 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 2.2 p90 -153.82 136.86 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 158.43 58.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.31 35.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -157.64 87.76 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.06 -132.18 10.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.11 -20.8 28.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.79 167.88 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.42 148.64 32.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -112.66 130.44 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.531 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 59.7 t -122.12 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -125.8 135.88 52.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.35 118.44 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 m -99.78 123.68 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.593 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.13 124.7 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 3' ' ' ARG . 26.3 mt-10 -137.18 122.94 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.593 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 2.4 p90 -153.49 157.16 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -115.76 128.21 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 6.2 m-85 -107.11 174.18 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 -54.42 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -79.11 124.68 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.41 75.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.04 -50.91 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -66.6 -24.48 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.6 OUTLIER -58.87 -50.58 73.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.56 -36.31 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.69 95.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -74.63 -54.31 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.02 -18.03 12.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -79.66 -53.95 6.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 27.5 p30 -69.79 -10.98 60.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.48 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -53.11 -36.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.23 -50.02 71.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.405 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.3 mpt_? -56.45 -47.47 79.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.461 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -55.62 -44.58 77.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 134' ' ' LEU . . . -67.95 -26.54 66.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.01 -36.84 73.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.8 ptpt -75.4 -45.65 37.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.604 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 134' ' ' LEU . 65.8 mt -63.98 -57.39 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.93 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.58 -51.11 66.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 20' ' ' LEU . 2.3 t80 -61.51 -42.17 98.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.82 -45.66 91.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.5 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.433 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.37 -35.65 76.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.583 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -63.74 -43.78 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -72.65 -32.79 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -69.61 -30.42 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.01 -55.33 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -65.8 -36.9 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 38.46 42.63 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.464 0.173 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.573 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 -44.99 118.74 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -122.46 118.99 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -111.03 131.91 54.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.82 149.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -140.69 117.47 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -121.84 128.74 51.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -137.12 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -134.9 125.24 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.3 mt -129.99 115.56 17.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.64 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.56 -176.22 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -81.73 160.75 63.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.458 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.02 -6.19 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.52 -47.85 37.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -52.61 -34.25 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.87 -38.53 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.92 -35.39 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.29 -31.21 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -70.05 -46.5 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.496 HG23 ' CZ ' ' A' ' 97' ' ' PHE . 54.1 t -61.5 -30.8 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -106.81 27.41 16.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.43 -10.4 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.87 -17.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.87 12.26 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.635 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -118.35 -91.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.0 p90 37.71 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HG2' ' NE ' ' A' ' 141' ' ' ARG . 18.5 Cg_endo -75.01 -83.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.57 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -171.84 172.94 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG12 ' CH2' ' A' ' 33' ' ' TRP . 4.9 m -145.13 95.5 5.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.1 Cg_endo -74.98 -37.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.44 1.758 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.601 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -55.66 -19.13 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG2' HG21 ' A' ' 31' ' ' VAL . 1.4 tt -131.0 -177.44 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -130.21 -91.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.579 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -99.58 155.52 19.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.13 150.23 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.78 134.29 6.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.2 p -130.41 123.87 30.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.452 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.34 179.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 62.85 98.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.29 -144.0 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -140.63 164.92 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 126.75 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -133.29 132.79 41.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.94 -131.58 10.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.68 33.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 41.3 t -135.96 152.32 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -143.52 141.55 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.406 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 31.4 m -134.87 124.97 25.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.3 m -151.84 171.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.77 138.22 41.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' HB1' ' CG1' ' A' ' 70' ' ' VAL . . . -124.17 108.48 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.3 100.75 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.16 17.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -125.19 -179.47 4.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.492 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -133.82 124.79 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' PHE . . . -138.77 76.28 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.9 t80 161.64 -23.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.3 p -79.4 8.26 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 7.0 t80 63.68 9.27 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 93.85 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 92.34 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -145.07 134.46 23.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 145.89 26.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.96 154.97 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.01 141.89 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.6 p -148.6 170.74 17.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -94.12 109.07 20.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.428 ' CG1' ' HB1' ' A' ' 53' ' ' ALA . 11.8 p -91.8 136.68 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -126.89 113.17 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' CD ' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 34.4 t0 -144.36 123.69 13.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -93.52 -5.3 49.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -23.4 16.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.03 -23.77 10.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.37 35.85 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 163.73 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 151.31 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.0 138.64 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 36.8 t -134.79 123.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 m -119.93 150.81 39.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -60.94 132.44 53.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt -123.26 -56.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -126.99 -4.61 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.85 -143.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 118.66 5.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.63 56.75 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 -47.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 169.1 122.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.53 109.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -140.78 162.85 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . 41.9 t30 -153.32 160.32 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.34 139.66 6.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.814 ' CZ2' ' CE1' ' A' ' 108' ' ' PHE . 90.5 m95 -116.98 146.02 43.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 3.1 mmm180 -142.22 146.9 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 95' ' ' TRP . 1.9 m-85 -151.44 101.48 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.1 mtp -127.1 141.3 40.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.73 40.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' NH1' ' A' ' 105' ' ' ARG . 2.6 pt-20 -150.05 57.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.63 -124.63 7.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.12 -20.69 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -109.65 167.85 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.64 147.88 40.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NH1' ' CD ' ' A' ' 100' ' ' GLU . 7.6 ttm105 -113.63 135.96 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.421 HG13 ' CD2' ' A' ' 97' ' ' PHE . 57.3 t -121.99 136.16 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.71 129.85 49.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CE1' ' CZ2' ' A' ' 95' ' ' TRP . 23.0 t80 -125.7 119.25 27.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.4 125.84 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.564 HG23 ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -118.14 137.43 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.53 121.7 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.75 155.38 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -109.03 122.68 47.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -102.05 173.65 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -54.28 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 m -85.06 120.7 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.43 71.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.66 -52.89 26.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.95 -27.0 69.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.573 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -56.28 -51.61 67.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -77.36 -36.23 53.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 5.7 mt -74.86 -47.82 28.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.88 -13.8 38.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -80.37 -54.25 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 127' ' ' VAL . 18.6 p30 -68.63 -20.34 64.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.445 ' N ' ' OD1' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -48.25 -42.62 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -44.21 94.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -60.86 -54.34 46.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -55.35 -33.04 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.405 ' O ' HG12 ' A' ' 135' ' ' ILE . . . -66.91 -47.9 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.3 -46.44 71.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.514 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 5.0 pttt -61.29 -42.7 99.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.601 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -58.1 -40.82 82.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.445 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 40.5 mm -63.76 -41.73 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.74 76.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.84 -51.94 62.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.573 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 16.0 t80 -62.46 -41.83 99.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.19 -48.91 79.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.53 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.415 ' NE ' ' HG2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -64.12 -34.91 79.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.04 89.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -32.54 65.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.46 -31.67 70.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.6 tp -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -64.77 -29.95 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.591 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -52.88 -57.62 13.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.466 0.174 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 -73.71 118.52 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 4.6 ttp180 -112.09 121.67 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -106.24 132.34 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 144.13 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.95 112.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -115.54 129.01 56.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' NZ ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.06 162.24 33.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.07 130.18 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.0 mt -136.16 120.29 12.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 64.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -139.86 171.35 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 p -72.44 161.05 81.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.3 9.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.35 -45.94 71.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -52.87 -33.19 48.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.2 mt -63.3 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -46.11 -40.93 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.36 -26.72 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.581 HD11 ' CH2' ' A' ' 95' ' ' TRP . 1.8 mt -74.55 -41.77 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 79' ' ' ILE . 88.1 t -57.54 -30.28 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.65 26.63 11.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.81 -7.33 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 3.7 m -81.5 -21.74 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.589 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 5.4 t70 -121.95 -40.45 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . -72.0 -98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 35.2 p90 47.87 164.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -91.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.25 40.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 1.1 t80 -134.78 -72.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' C ' ' O ' ' A' ' 30' ' ' PHE . 14.2 m 33.96 83.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.1 Cg_endo -75.07 -39.23 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.58 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.65 -19.98 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.76 -172.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.45 -90.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.441 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.67 155.04 21.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.83 151.89 16.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 131.83 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.429 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 67.6 p -130.85 120.97 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.08 179.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 0.9 OUTLIER 63.67 98.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.59 -142.53 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -143.9 152.49 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -119.8 126.55 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.9 131.35 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.18 -130.4 6.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.46 36.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 31.1 t -136.58 149.09 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m -137.66 131.36 31.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.428 HG22 ' NE ' ' A' ' 71' ' ' ARG . 84.4 m -127.58 124.54 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.0 m -152.39 172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.3 146.75 38.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.72 107.86 9.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.08 101.2 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.38 157.79 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.5 mt-30 -126.18 -179.68 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.26 125.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.457 ' N ' HG21 ' A' ' 35' ' ' THR . . . -129.31 159.57 22.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 56.35 16.28 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -107.28 8.45 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 6.3 t80 62.15 10.12 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 94.86 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 92.75 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -144.95 151.05 38.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -119.66 158.68 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 11.0 m-85 -153.59 152.47 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.35 141.75 49.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -150.81 159.21 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.77 110.99 15.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.428 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 4.4 p -87.39 133.49 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' NE ' HG22 ' A' ' 50' ' ' THR . 11.3 mtt-85 -128.13 124.77 37.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.18 46.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.231 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.5 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 37.3 t0 -143.79 131.84 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -9.92 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -23.34 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.89 -27.28 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.6 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.473 ' HB3' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.13 161.4 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 21' ' ' VAL . 1.1 mm -123.96 140.6 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -150.48 137.18 19.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 70' ' ' VAL . 7.5 t -139.79 131.53 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.5 m -119.23 159.18 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 3.8 tp -64.47 135.75 56.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -122.89 -57.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -4.15 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.46 -150.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.63 2.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -68.45 91.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.08 -50.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 168.6 120.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 112' ' ' PHE . 2.1 tt -165.53 114.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.3 148.23 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.6 109.55 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.21 147.77 17.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.581 ' CH2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -145.54 128.8 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' CD ' ' HB3' ' A' ' 78' ' ' SER . 2.5 mmt180 -134.81 159.0 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 1.4 p90 -150.45 135.63 17.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 mtt -144.96 157.2 54.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.446 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 18.2 Cg_endo -75.01 150.11 37.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 99' ' ' PRO . 21.8 mt-10 -162.99 95.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.34 -134.55 12.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.39 -26.17 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -112.74 167.37 10.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.05 147.92 26.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 131.99 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.571 HG12 ' CZ2' ' A' ' 95' ' ' TRP . 82.4 t -121.59 141.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -127.52 124.24 37.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' A' ' 110' ' ' ILE . 8.0 t80 -120.55 121.54 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.85 139.92 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.2 pp -126.4 122.57 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.444 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 4.7 mt-10 -136.02 127.85 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 1.1 p90 -156.51 160.93 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.59 121.53 44.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.592 ' CZ ' HD12 ' A' ' 123' ' ' LEU . 1.6 m-85 -102.2 171.89 7.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -51.85 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.74 113.17 24.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.7 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.65 -54.1 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.92 -23.99 66.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -59.25 -52.1 67.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.84 -35.37 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -50.68 73.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' A' ' 114' ' ' PHE . 4.0 mt -75.37 -40.8 57.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.48 -16.62 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.43 -54.14 7.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 8.5 p30 -68.21 -25.03 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.444 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.22 -41.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -62.17 -46.86 87.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' ASN . 5.2 mmt180 -60.91 -54.16 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.89 -35.25 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.453 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -70.78 -34.17 71.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.19 95.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.502 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.3 pttt -70.27 -41.68 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.58 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -60.51 -42.51 96.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.4 HG12 ' NZ ' ' A' ' 8' ' ' LYS . 71.5 mt -63.19 -46.17 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.15 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.22 -51.42 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 20' ' ' LEU . 14.8 t80 -62.42 -40.68 97.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.78 82.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -36.52 81.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.94 92.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.51 ' O ' ' CA ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -71.65 -32.36 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -73.13 -28.1 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -60.01 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -80.25 -59.12 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.605 ' N ' ' CG ' ' A' ' 146' ' ' HIS . . . 34.06 39.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.47 ' H ' ' CE1' ' A' ' 146' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.521 0.2 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.4 OUTLIER -72.4 151.65 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.626 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -133.31 117.29 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.699 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -99.26 127.45 45.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -105.25 145.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.439 ' CG1' HD11 ' A' ' 135' ' ' ILE . 1.8 t -145.0 104.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -114.94 122.05 45.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 168.06 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.3 t -135.25 120.91 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 138' ' ' PHE . 20.7 mt -119.53 119.94 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 62.85 5.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -143.85 177.29 8.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -70.41 159.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.31 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -67.95 -39.25 83.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 138' ' ' PHE . 3.2 mp0 -53.41 -25.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 20' ' ' LEU . 15.8 mt -68.2 -42.23 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -39.76 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.2 -27.56 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 138' ' ' PHE . 2.0 mt -77.4 -40.91 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 79' ' ' ILE . 74.2 t -61.64 -38.44 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.88 21.85 41.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.96 -8.51 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 17.6 m -84.66 -18.17 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -136.37 10.95 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.1 -90.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.4 p90 37.9 93.45 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.02 4.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.43 169.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.61 ' CD1' ' SG ' ' A' ' 137' ' ' CYS . 2.1 t80 62.87 108.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -169.98 71.33 0.63 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.99 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.58 ' CZ2' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.0 -31.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.475 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -122.48 -169.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.97 -91.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.585 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.37 156.54 22.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.3 pmm? -161.75 151.78 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.88 131.3 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 31.4 p -133.36 120.65 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.84 176.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.93 100.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 177.2 -136.05 2.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -144.32 156.23 44.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.51 119.08 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -130.83 128.83 41.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.28 -130.63 8.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' OD1' ' A' ' 75' ' ' ASP . . . -93.54 35.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.82 146.9 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 9.3 m -145.55 131.56 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.482 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 57.5 m -131.91 128.12 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.4 m -152.35 172.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' N ' ' HD2' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.96 140.45 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.07 114.23 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -110.39 100.99 9.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.31 164.62 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.433 ' C ' HG22 ' A' ' 35' ' ' THR . 25.5 mt-30 -128.94 -178.8 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.05 125.38 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' N ' HG21 ' A' ' 35' ' ' THR . . . -137.67 68.26 0.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 172.63 -27.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.82 8.04 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.654 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 63.44 10.0 4.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.44 93.8 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 91.99 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -145.57 134.02 21.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -95.03 153.01 17.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.9 155.15 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.46 142.27 47.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.504 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.2 p -150.74 162.23 41.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.38 112.3 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.29 136.09 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.482 ' HG3' ' CG2' ' A' ' 50' ' ' THR . 1.4 mtp180 -128.37 118.35 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.8 OUTLIER -115.19 152.1 33.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -146.44 126.62 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' CD ' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.25 -20.98 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' OD1' ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -88.69 -27.5 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.07 -22.96 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 3.3 mtm-85 60.74 35.35 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 163.78 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -139.24 141.49 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.87 141.79 24.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 93' ' ' ASN . 14.2 t -137.07 133.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 m -114.83 152.86 31.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.3 OUTLIER -74.42 136.71 42.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -124.07 -59.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -134.16 -2.36 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -47.29 -106.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.416 ' HD2' ' CD1' ' A' ' 83' ' ' LEU . 18.3 Cg_endo -74.99 0.43 8.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' PRO . 2.6 t80 37.15 41.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.28 -60.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -171.59 126.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -175.72 146.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.12 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -141.54 129.79 22.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -139.8 145.31 16.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.758 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 84.0 m95 -126.59 112.44 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -112.68 149.37 32.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -131.19 130.46 43.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 115.92 4.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.86 43.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.441 1.759 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.54 60.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.27 -136.54 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -70.07 -30.76 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.73 163.05 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.39 147.4 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -115.3 130.22 56.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.9 t -120.29 141.28 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.53 127.62 48.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.758 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.0 t80 -120.01 117.32 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.32 131.19 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -129.54 137.36 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -136.38 138.27 41.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 1' ' ' MET . 1.0 OUTLIER -136.87 171.73 14.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -140.53 120.97 14.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -128.27 158.18 38.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -40.72 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -83.61 109.58 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.05 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.69 -57.93 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.89 -26.87 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -57.74 -51.48 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -79.03 -32.57 45.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -49.35 76.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 6.5 mt -75.73 -45.8 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . . . -63.65 -16.19 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -75.79 -53.41 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 129' ' ' ARG . 7.9 p30 -66.5 -27.64 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.699 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.26 -40.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.11 -45.55 91.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' ASN . 8.5 mmt85 -58.82 -49.57 77.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.34 82.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.19 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.31 -47.72 28.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.43 -33.81 76.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.58 HD12 ' CZ2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -68.35 -41.19 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.439 HD11 ' CG1' ' A' ' 6' ' ' VAL . 53.1 mt -62.77 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.42 77.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.61 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 38.3 t -63.09 -51.43 66.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.345 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CD2' HD11 ' A' ' 20' ' ' LEU . 14.8 t80 -60.11 -39.03 84.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.48 -49.28 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.91 91.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.554 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -63.7 -36.2 83.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.66 96.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.88 -32.68 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.554 HE22 ' NH2' ' A' ' 141' ' ' ARG . 25.3 tt0 -69.01 -35.11 76.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.12 -54.75 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -64.51 -31.19 72.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.09 -56.65 22.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.434 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 47.2 m-70 -41.25 139.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 5.6 ttt180 -135.28 116.45 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.679 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -106.69 131.84 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.604 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.72 133.09 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.67 103.45 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -112.59 135.31 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' NZ ' ' CD1' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -144.13 169.41 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -134.89 124.57 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 6.8 mt -125.83 120.04 24.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' HD2' ' CE2' ' A' ' 12' ' ' TYR . 18.2 Cg_endo -75.04 76.88 3.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CE2' ' HD2' ' A' ' 11' ' ' PRO . 66.1 m-85 -149.74 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -76.78 161.24 74.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 0.82 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.36 -45.41 69.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -52.16 -23.0 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 97' ' ' PHE . 4.9 mt -75.12 -42.02 57.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -45.12 -37.45 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.21 -33.82 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -72.57 -39.49 67.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG1' ' CG1' ' A' ' 79' ' ' ILE . 78.0 t -61.12 -40.11 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HB1' ' A' ' 26' ' ' ALA . . . -100.4 15.76 58.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.593 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 21.4 t0 -50.17 -21.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.1 m -66.78 -12.4 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.33 25.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 22' ' ' GLY . . . -110.45 -88.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 73.4 m-85 55.84 91.47 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' NH2' ' A' ' 141' ' ' ARG . 18.3 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG2' ' NH2' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -152.68 -69.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -179.09 172.68 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.637 ' CG1' ' CE3' ' A' ' 33' ' ' TRP . 48.0 t -144.74 108.41 4.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.16 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.637 ' CE3' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -58.47 -16.03 13.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 ' CG2' HG11 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -131.75 178.13 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -129.64 -94.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.388 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.55 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -101.25 151.83 18.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -162.34 152.32 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.07 133.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.4 p -126.31 120.26 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.25 177.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 65.76 100.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.32 -144.82 7.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -142.95 153.05 42.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.47 124.76 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -133.14 130.69 39.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.12 -132.59 6.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.2 35.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.5 t -134.62 148.49 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.35 131.55 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.045 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.405 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 54.9 m -130.48 125.04 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG21 ' CG1' ' A' ' 70' ' ' VAL . 3.9 m -151.92 171.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -79.37 136.18 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -122.88 108.12 12.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 37' ' ' MET . 15.6 tt0 -103.89 99.9 9.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.7 171.48 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.51 ' C ' ' CG2' ' A' ' 35' ' ' THR . 53.8 mt-30 -136.85 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.506 ' CA ' HG21 ' A' ' 35' ' ' THR . 1.2 m -130.25 123.53 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' HG21 ' A' ' 35' ' ' THR . . . -123.75 153.25 17.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.69 15.09 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 81.5 p -101.75 8.21 41.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 4.1 t80 62.82 9.15 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 tt -138.94 94.08 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 94.14 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -144.59 132.66 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -95.45 156.61 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 14.9 m-85 -146.73 152.77 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' THR . . . -126.82 141.33 51.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -153.3 157.86 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -82.74 109.86 17.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' HG21 ' A' ' 51' ' ' VAL . 10.1 p -89.77 135.62 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -127.62 128.62 45.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -127.87 146.95 50.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -143.2 116.82 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -25.86 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.17 -22.27 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 60.01 36.4 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 161.6 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CG1' ' CG1' ' A' ' 21' ' ' VAL . 1.7 mm -133.17 139.88 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.42 140.14 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 69' ' ' ARG . 55.7 t -134.47 136.02 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -119.68 158.56 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.2 OUTLIER -67.4 134.42 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.592 ' C ' ' CD1' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -124.32 -60.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.44 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -128.15 -2.43 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.04 -135.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.44 ' CD ' HD11 ' A' ' 91' ' ' LEU . 18.5 Cg_endo -74.96 127.64 10.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -82.73 72.24 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.84 -52.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 175.46 138.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' A' ' 87' ' ' PRO . 8.3 tt -176.18 130.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -152.07 148.51 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -149.93 149.06 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.94 148.01 14.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 108' ' ' PHE . 57.2 m95 -119.22 126.65 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.77 146.77 42.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.567 ' CD1' HD22 ' A' ' 17' ' ' LEU . 4.9 m-85 -145.22 111.84 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.4 136.5 29.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.22 40.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 -136.74 12.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.64 -26.9 60.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -105.88 167.12 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 147.39 43.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -105.77 133.64 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 17' ' ' LEU . 57.9 t -120.68 138.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -129.53 123.25 30.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.796 ' CE2' ' CH2' ' A' ' 95' ' ' TRP . 3.9 t80 -113.12 119.86 39.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.44 123.37 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.603 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.1 pp -117.4 119.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 36.1 mt-10 -136.48 118.37 15.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 2.5 p90 -149.14 157.25 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -112.1 121.13 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' A' ' 123' ' ' LEU . 2.5 m-85 -95.37 161.58 14.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -52.98 6.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -85.43 128.13 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.75 73.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.53 -46.65 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.5 -24.16 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -59.07 -51.2 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -74.8 -35.55 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -48.55 78.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' A' ' 114' ' ' PHE . 2.7 mt -75.0 -40.92 60.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -69.96 -14.22 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -79.94 -54.34 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.3 p30 -69.8 -25.18 63.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.679 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -41.72 -34.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.405 ' N ' HG11 ' A' ' 127' ' ' VAL . 27.7 t70 -64.76 -52.98 54.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER -59.77 -53.01 63.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.436 ' CA ' ' HE2' ' A' ' 133' ' ' LYS . . . -54.49 -37.08 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' ' 135' ' ' ILE . . . -63.67 -45.39 90.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.93 81.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HE3' ' CB ' ' A' ' 33' ' ' TRP . 2.3 pttt -60.84 -42.25 97.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.631 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -57.65 -41.0 80.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.43 ' CD1' ' NZ ' ' A' ' 8' ' ' LYS . 29.3 mm -66.6 -50.04 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.91 63.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.1 t -67.89 -51.38 48.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 2.8 t80 -60.65 -44.9 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -48.95 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.81 73.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.5 96.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.534 ' HA ' ' CD2' ' A' ' 146' ' ' HIS . 1.6 tt0 -75.23 -32.89 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -71.49 -36.54 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.85 -59.9 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.534 ' CD2' ' HA ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -72.35 -8.32 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.16 -67.81 1.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.3 m-70 -60.72 124.51 20.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -120.2 125.62 48.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.646 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -108.76 140.9 41.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.06 139.12 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.41 108.04 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -120.34 119.41 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 155.0 39.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.55 114.37 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.51 121.03 32.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 63.53 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.1 177.77 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -76.56 161.54 74.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.04 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -72.4 -46.63 54.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -54.15 -23.69 15.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 11.4 mt -71.05 -41.52 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.17 -36.62 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.28 -28.96 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -71.29 -39.99 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 HG21 ' CZ2' ' A' ' 95' ' ' TRP . 12.7 t -59.81 -43.21 91.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -97.33 24.63 30.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.7 t70 -67.38 -7.16 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' O ' ' CG ' ' A' ' 37' ' ' MET . 15.9 m -87.17 -18.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -131.37 6.61 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.656 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -123.34 -90.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 44.3 p90 40.23 58.64 7.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 54.17 3.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HB3' ' CD ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -158.89 -157.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 3.9 t80 -92.48 136.17 33.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' CH2' ' A' ' 33' ' ' TRP . 25.8 m -138.72 80.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.0 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -52.76 -21.29 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.5 tt -127.12 -177.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.08 -91.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.56 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -90.45 148.16 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 42.1 tpp -153.97 147.91 25.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -167.36 131.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 30.1 p -135.73 118.84 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.43 179.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.26 92.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.69 -136.82 2.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 162.68 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.1 p -134.5 119.92 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -130.2 131.12 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.72 -131.57 7.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.92 35.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.8 148.04 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -141.88 134.2 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.401 ' O ' ' HA3' ' A' ' 42' ' ' GLY . 47.3 m -129.3 126.84 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.4 m -151.36 172.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.89 144.67 41.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.61 109.08 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.62 101.95 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.25 153.0 30.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.46 -178.73 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CA ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -137.78 124.92 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' N ' HG21 ' A' ' 35' ' ' THR . . . -110.72 -60.23 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.43 33.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 4.0 m -106.54 6.64 30.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 60' ' ' SER . 28.8 t80 62.79 13.35 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -145.13 113.24 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -83.91 90.96 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.37 164.58 31.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 157.33 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -146.61 154.73 41.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.67 139.52 42.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.465 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -154.39 155.31 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.11 110.28 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 79' ' ' ILE . 6.6 p -88.2 135.55 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -123.58 114.8 20.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 72' ' ' ARG . 4.2 mtm105 -108.65 148.23 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 33.4 t0 -141.26 127.77 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.43 -12.06 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -95.36 -22.89 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.34 -21.93 13.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' O ' ' CZ3' ' A' ' 95' ' ' TRP . 1.8 mtm105 61.18 33.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.74 160.63 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.691 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -128.16 152.24 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -151.55 137.83 18.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 68' ' ' THR . 28.4 t -127.16 138.27 55.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 m -118.9 154.59 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -71.37 130.84 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 83' ' ' LEU . 1.8 tt -124.86 -56.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -133.47 -1.53 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -53.39 -117.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.02 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' PRO . 1.4 t80 33.31 45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 -55.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.21 124.42 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -176.82 127.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.34 146.58 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -141.94 157.9 44.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 163.05 20.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.784 ' CH2' ' CZ ' ' A' ' 97' ' ' PHE . 12.4 p-90 -149.18 151.0 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.91 142.34 42.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' A' ' 95' ' ' TRP . 20.4 m-30 -94.14 145.44 24.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -155.07 93.46 2.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 148.99 36.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 57.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.13 -130.01 8.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.09 -19.86 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.17 167.44 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.72 146.62 50.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 98' ' ' MET . 0.6 OUTLIER -122.48 125.8 46.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 97' ' ' PHE . 43.7 t -110.98 141.76 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -126.09 131.43 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.4 118.94 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -99.11 125.66 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.54 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.31 123.35 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -136.36 117.59 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.54 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 2.0 p90 -146.79 160.79 41.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -110.56 129.08 55.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -108.58 169.23 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -54.38 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 m -93.12 121.8 34.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.88 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.87 -50.19 63.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.87 -24.62 66.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.606 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -58.68 -52.13 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -75.09 -34.98 61.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -49.04 77.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.9 mt -75.66 -42.94 49.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -66.84 -14.37 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -78.49 -53.28 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 129' ' ' ARG . 6.0 p30 -69.12 -24.08 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.646 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.23 -44.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.9 t0 -62.24 -44.32 96.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.5 OUTLIER -59.59 -49.1 79.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.22 84.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.421 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -63.3 -32.31 73.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.39 85.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.492 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 8.8 pttt -72.18 -37.72 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -66.92 -40.15 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.57 -35.77 62.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.74 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.61 -50.37 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.572 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 62.7 t80 -65.75 -45.62 81.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -47.68 83.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.92 80.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.416 ' CD ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.79 -35.46 80.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.12 95.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.96 -32.84 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.01 78.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.07 -56.5 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -63.44 -30.2 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -52.87 -56.17 19.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.468 0.175 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 17.0 m-70 -58.59 118.39 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.43 143.26 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.623 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -127.86 131.04 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 2.2 p -103.76 152.55 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.41 ' CG2' ' C ' ' A' ' 5' ' ' VAL . 1.3 t -148.81 115.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -119.06 113.47 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 160.03 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.6 p -136.49 122.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 1.2 mt -137.46 130.31 16.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 18.2 Cg_endo -75.0 70.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 142' ' ' ALA . 23.2 m-85 -129.85 168.66 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 p -80.59 166.45 39.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.05 -1.29 11.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 18' ' ' PHE . 8.1 t0 -74.87 -48.03 27.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.26 -39.74 57.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD23 ' CB ' ' A' ' 97' ' ' PHE . 2.3 mt -59.25 -39.0 81.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' ASP . 17.3 t80 -45.95 -39.48 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.26 -32.25 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -71.77 -35.73 70.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 79' ' ' ILE . 79.3 t -60.38 -34.66 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.08 27.68 16.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 5.7 t70 -71.05 -6.76 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 39' ' ' THR . 20.7 m -79.68 -14.21 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' A' ' 27' ' ' TYR . 16.7 t70 -133.49 -36.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.735 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -80.69 -93.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.735 ' O ' ' O ' ' A' ' 26' ' ' ALA . 50.9 p90 44.07 162.46 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -107.94 21.33 17.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -136.81 103.87 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 m -146.31 83.28 8.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -51.28 -22.24 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 108.03 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 ' N ' ' C ' ' A' ' 32' ' ' PRO . 2.0 tt -128.85 -179.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -127.65 -90.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.572 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.92 152.33 19.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 22.5 tpp -154.47 151.34 28.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -163.46 139.35 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 HG23 ' CG2' ' A' ' 24' ' ' VAL . 51.4 p -135.82 119.27 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.498 ' NE1' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -179.38 177.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.498 ' ND2' ' NE1' ' A' ' 40' ' ' TRP . 1.2 m-20 65.82 100.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.86 -144.15 7.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.62 160.28 40.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.92 124.4 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -134.25 132.9 40.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.84 -131.29 6.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.34 37.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.492 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 25.6 t -136.42 149.34 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.4 130.46 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.414 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 66.9 m -127.48 125.82 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 110.369 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.6 m -152.21 172.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.03 138.97 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.93 107.95 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.01 100.61 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.07 153.88 26.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' CG2' ' A' ' 35' ' ' THR . 3.8 mt-30 -124.66 179.84 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.0 OUTLIER -135.7 125.15 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' HG22 ' A' ' 35' ' ' THR . . . -124.98 -47.22 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 37.3 t80 -75.6 -5.46 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -85.51 5.02 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 16.8 t80 58.81 12.12 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -128.03 105.38 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 92.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.34 158.09 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -126.03 152.53 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -151.97 156.91 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.33 141.97 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -147.71 156.86 43.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 3.3 tpt180 -78.47 112.08 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -93.83 131.8 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.48 125.49 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.72 152.89 46.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.492 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 25.6 t0 -145.91 129.84 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -90.83 -11.8 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 -24.04 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.86 -28.25 13.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 60.85 38.14 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.43 160.72 33.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 HD13 ' CG1' ' A' ' 21' ' ' VAL . 16.4 mm -125.6 137.77 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -143.14 139.4 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 93' ' ' ASN . 7.0 t -139.04 135.87 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 m -122.46 155.63 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -74.05 132.56 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.54 ' C ' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -124.04 -56.22 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -132.54 -1.95 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -51.57 -113.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.4 Cg_endo -74.99 0.94 8.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 87' ' ' PRO . 6.4 t80 35.63 39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.31 -58.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.31 123.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 tt -176.63 145.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.85 165.85 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -155.21 118.23 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.32 141.66 12.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.522 ' CH2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -143.22 131.55 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -138.91 158.98 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 14.6 p90 -154.72 145.47 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.32 138.12 11.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.52 36.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.94 176.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 37.98 -132.46 1.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.82 -21.45 15.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -128.77 164.49 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.77 148.36 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.13 127.61 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.522 HG12 ' CH2' ' A' ' 95' ' ' TRP . 57.7 t -120.04 139.49 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -123.87 127.75 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -125.66 108.44 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.8 m -108.32 118.42 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -107.47 134.49 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.437 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 88.2 mt-10 -124.17 147.67 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -173.87 159.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -123.36 120.33 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.539 ' CE1' ' CD1' ' A' ' 123' ' ' LEU . 2.7 m-85 -96.77 170.23 9.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 -52.31 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -81.99 119.5 24.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.36 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.43 -54.07 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.51 -26.71 68.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 2.4 t0 -56.52 -51.57 68.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.95 -37.47 55.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.88 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.539 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 7.0 mt -74.85 -47.61 29.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.51 -13.14 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -80.4 -53.63 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 127' ' ' VAL . 11.4 p30 -71.74 -25.01 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.623 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -44.47 -42.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.23 -44.93 93.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.71 -49.47 77.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.37 78.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.17 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.84 -45.86 91.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.088 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.0 pttt -69.1 -41.03 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.576 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -61.86 -41.54 97.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.404 HD12 ' CG1' ' A' ' 6' ' ' VAL . 31.9 mt -62.61 -47.28 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.37 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 28.3 t -62.05 -50.99 69.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.92 -39.01 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -51.5 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.52 72.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -37.02 85.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . . . -63.82 -43.49 96.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.4 OUTLIER -72.45 -32.78 66.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.21 -34.49 77.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -51.85 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -65.11 -31.52 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.59 -55.56 29.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.483 0.182 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.598 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 35.2 m-70 -41.31 118.93 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -125.31 117.82 24.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.12 142.44 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 16.2 t -105.11 145.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 5' ' ' VAL . 2.9 t -150.52 103.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -121.42 124.4 44.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 158.52 38.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -136.69 130.26 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 138' ' ' PHE . 1.2 mt -139.67 130.47 14.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.97 56.25 4.18 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 142' ' ' ALA . 20.5 m-85 -115.17 161.32 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.404 HG22 ' NE2' ' A' ' 146' ' ' HIS . 22.6 p -66.0 162.79 42.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.481 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 14.3 t0 -74.56 -48.04 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -51.48 -23.0 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD22 ' CG ' ' A' ' 97' ' ' PHE . 11.3 mt -69.13 -44.99 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -45.13 -32.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.62 -35.41 45.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.589 ' CD1' ' CG ' ' A' ' 138' ' ' PHE . 2.9 mt -75.89 -38.23 58.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 79' ' ' ILE . 40.6 t -61.73 -35.56 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -104.71 23.26 31.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.82 -16.22 6.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 16.5 m -83.96 -12.19 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.6 14.21 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.629 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.91 -94.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.632 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.4 p90 39.88 99.05 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -38.49 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -177.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CZ ' ' NZ ' ' A' ' 133' ' ' LYS . 14.3 t80 56.66 61.12 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 1.9 m -141.53 69.28 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HD2' ' CD ' ' A' ' 133' ' ' LYS . 18.5 Cg_endo -74.95 -37.41 2.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -48.61 -23.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -123.42 176.12 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.546 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -135.35 -90.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.71 154.85 20.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.62 151.69 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.81 132.13 5.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.466 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 70.8 p -131.66 118.56 20.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.35 179.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.9 97.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 175.3 -149.04 9.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -135.39 160.03 39.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -125.31 127.81 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.27 130.95 37.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.97 -131.71 6.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' O ' ' OD2' ' A' ' 73' ' ' ASP . . . -95.44 36.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 33.7 t -136.53 149.09 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.59 133.44 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.407 ' O ' ' HA3' ' A' ' 42' ' ' GLY . 83.8 m -127.72 122.4 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.3 m -152.22 172.27 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.32 139.6 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . . . -125.58 111.94 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -104.09 100.21 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 154.73 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.466 ' C ' ' CG2' ' A' ' 35' ' ' THR . 15.7 mt-30 -125.23 178.71 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' CA ' HG23 ' A' ' 35' ' ' THR . 1.4 m -135.24 126.0 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 35' ' ' THR . . . -108.33 -65.43 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.0 35.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.4 m -108.05 5.53 26.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 55.4 t80 59.9 11.61 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.12 94.62 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 91.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -145.54 161.22 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.1 ptmt -121.02 150.97 40.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 3.5 m-85 -146.94 147.2 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.79 141.6 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.78 156.43 40.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.392 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -78.14 110.02 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' HB ' ' CB ' ' A' ' 53' ' ' ALA . 7.1 p -88.29 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.37 114.78 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -109.65 155.46 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 15.0 t0 -147.33 126.35 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 0.1 OUTLIER -92.01 -10.75 38.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -23.09 15.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.17 -26.71 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 9.2 mmt-85 61.92 36.51 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.63 153.39 49.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.698 ' HB ' ' CD1' ' A' ' 95' ' ' TRP . 20.7 mm -119.93 142.55 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -144.55 137.26 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' ASN . 98.2 t -135.33 130.58 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 161.81 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 2.7 tp -63.86 131.35 47.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.4 -56.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.62 -4.2 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.94 -150.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -61.42 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.88 -49.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.72 131.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 112' ' ' PHE . 2.3 tp -173.24 116.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -140.14 138.66 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.0 t-20 -150.73 124.38 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.81 161.73 33.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.698 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -146.49 166.63 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -131.71 147.22 52.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.526 ' CG ' HD22 ' A' ' 17' ' ' LEU . 20.3 m-85 -123.28 106.93 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.85 148.73 71.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.04 38.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -158.68 91.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -131.95 10.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -89.22 -19.88 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.51 168.0 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.77 147.89 24.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -108.39 130.67 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.05 131.48 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.85 124.15 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 110' ' ' ILE . 1.6 t80 -123.82 120.42 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.1 m -106.85 126.5 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -113.32 118.2 57.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -137.19 119.49 15.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 111' ' ' GLU . 1.4 m-85 -151.72 154.72 36.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.434 ' CB ' ' SD ' ' A' ' 1' ' ' MET . . . -114.11 120.87 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.657 ' CE1' ' CD1' ' A' ' 123' ' ' LEU . 8.4 m-85 -97.23 168.64 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -50.0 7.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 m -87.2 118.14 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.52 64.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.35 -54.08 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.91 -29.0 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.598 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 3.4 t0 -53.72 -52.38 60.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.61 -41.25 39.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -46.56 71.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.657 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 7.7 mt -74.15 -44.27 54.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.28 -16.47 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.455 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 7.6 p30 -67.24 -26.1 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.404 ' N ' ' OD1' ' A' ' 126' ' ' ASN . 0.3 OUTLIER -44.67 -41.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.06 -40.64 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.8 mmp_? -64.64 -50.46 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 33' ' ' TRP . . . -58.94 -49.84 76.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.0 -29.17 70.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.72 -50.27 25.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.38 -36.94 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.599 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.0 -42.68 99.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.94 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.94 -51.71 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.589 ' CG ' ' CD1' ' A' ' 20' ' ' LEU . 15.4 t80 -57.86 -39.29 77.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -65.04 -52.08 57.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.01 77.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.633 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -62.91 -38.67 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.539 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . . . -62.77 -43.39 98.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.7 tt0 -72.23 -32.8 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.633 HE22 ' NH2' ' A' ' 141' ' ' ARG . 24.0 tt0 -67.57 -37.35 82.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.02 -50.66 21.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.404 ' NE2' HG22 ' A' ' 13' ' ' THR . 5.7 m-70 -67.42 -30.71 70.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.52 -57.25 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.34 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.61 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.0 m-70 -45.06 118.43 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.635 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -123.79 146.09 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -128.94 137.16 51.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.594 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 11.8 t -104.1 147.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.405 ' CG2' ' C ' ' A' ' 5' ' ' VAL . 2.4 t -149.18 111.22 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -118.09 131.73 56.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.71 163.53 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 p -136.52 126.88 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.545 HD11 ' CE2' ' A' ' 138' ' ' PHE . 40.0 mt -126.55 117.1 22.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 70.78 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CD1' ' CD2' ' A' ' 146' ' ' HIS . 60.6 m-85 -152.22 -176.1 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.7 p -78.92 160.68 71.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 0.83 8.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.01 -49.09 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.66 -33.53 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 97' ' ' PHE . 9.1 mt -62.79 -39.42 94.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -46.81 -37.93 9.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -26.34 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.591 HD12 ' CZ3' ' A' ' 95' ' ' TRP . 1.5 mt -73.35 -46.03 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 79' ' ' ILE . 44.0 t -59.71 -41.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.78 27.15 21.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' HA ' ' H ' ' A' ' 27' ' ' TYR . 10.3 t70 -68.73 -8.29 41.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -87.22 5.02 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.646 ' O ' ' CZ ' ' A' ' 27' ' ' TYR . 4.7 t70 -148.39 -35.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' O ' ' CD1' ' A' ' 27' ' ' TYR . . . -81.49 -57.84 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.657 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER 24.12 59.11 0.37 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 18.2 Cg_endo -74.98 62.75 5.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 163.91 163.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CE1' ' SG ' ' A' ' 137' ' ' CYS . 1.1 p90 -61.64 140.23 58.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG11 ' CZ3' ' A' ' 33' ' ' TRP . 2.4 m -132.52 89.52 35.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.19 2.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -56.27 -19.48 14.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 tt -132.26 179.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -132.57 -91.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.536 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.61 152.69 20.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.402 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.01 151.36 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.53 129.65 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 p -130.7 120.31 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.66 177.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.56 99.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.32 -140.57 4.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 157.76 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.01 124.24 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.01 133.26 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.35 -131.85 5.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -95.7 37.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.1 147.87 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.3 m -141.72 121.73 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.448 HG23 ' CD ' ' A' ' 69' ' ' ARG . 55.1 m -117.62 127.47 53.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.4 m -152.27 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.67 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.06 107.81 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 100.58 11.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.4 156.68 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.496 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.9 mt-30 -128.2 175.4 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' CA ' HG21 ' A' ' 35' ' ' THR . 2.8 m -131.33 124.44 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' N ' HG21 ' A' ' 35' ' ' THR . . . -105.38 -66.25 0.67 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.15 40.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 9.3 t -107.81 5.98 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' SER . 88.0 t80 60.15 11.7 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.44 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 1.8 tt -145.26 95.26 2.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 92.54 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 6.7 mt-10 -145.97 152.37 39.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -116.09 162.78 16.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 45.3 m-85 -157.03 157.24 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.19 142.62 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -150.72 157.09 42.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' CD ' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -82.01 108.51 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -87.36 131.77 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.82 111.46 18.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -104.72 149.81 25.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -147.1 122.26 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -92.77 -9.79 39.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -23.56 16.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.06 -21.64 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.586 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 5.9 mtt180 60.72 37.13 19.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.04 161.67 33.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.477 ' HB ' ' CD1' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -130.68 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.54 142.35 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.7 t -137.53 123.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 m -110.75 157.3 19.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -68.78 132.71 47.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -122.29 -56.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -133.28 -1.2 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -52.12 -119.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.99 3.67 5.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 87' ' ' PRO . 0.1 OUTLIER 34.09 41.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.49 -56.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.52 124.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' CD2' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -176.46 114.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -133.3 145.93 50.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -144.52 109.63 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.9 144.85 16.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.591 ' CZ3' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -139.5 128.03 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -137.12 141.49 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 17.1 p90 -140.16 143.61 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.1 mtm -148.58 168.68 10.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -159.08 89.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.07 -134.65 13.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.48 -23.53 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.24 165.63 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 147.9 27.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -108.81 132.4 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.449 ' CG1' ' CZ3' ' A' ' 95' ' ' TRP . 59.1 t -119.71 140.79 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.7 124.96 39.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.65 113.67 18.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.02 143.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.578 HD12 ' CE2' ' A' ' 112' ' ' PHE . 1.5 pp -127.67 125.73 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -136.26 124.52 23.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 110' ' ' ILE . 2.7 p90 -155.62 157.36 36.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -111.92 121.58 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.662 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 2.0 m-85 -99.07 174.2 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -51.64 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.73 129.36 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.66 -46.52 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.04 -23.94 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.61 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -60.61 -51.89 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -73.03 -38.56 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -46.15 89.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.662 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 5.8 mt -75.29 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.494 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -60.87 -14.02 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -78.37 -53.72 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.23 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 129' ' ' ARG . 6.9 p30 -68.65 -27.76 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -41.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.89 -47.68 82.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.5 mmt85 -58.95 -50.95 72.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.86 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -64.87 -32.32 73.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.92 -45.81 79.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.495 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 9.2 pttt -67.32 -39.39 85.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -63.58 -41.8 98.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -40.12 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.76 81.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.406 ' SG ' ' CE1' ' A' ' 30' ' ' PHE . 35.5 t -62.4 -51.59 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 20' ' ' LEU . 19.5 t80 -58.59 -40.78 84.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.97 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.44 -37.38 65.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -64.26 -45.3 88.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.34 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.45 -32.18 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -66.74 -38.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -55.24 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.425 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 4.6 m-70 -63.58 -29.29 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.75 -57.54 19.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG2' ' CD ' ' A' ' 90' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.483 0.182 . . . . 0.0 111.055 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.459 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 33.8 m-70 -144.17 119.07 9.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 19.7 ttt180 -117.95 124.98 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.57 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -120.74 128.39 52.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.95 136.28 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 108' ' ' PHE . 2.0 t -135.68 128.53 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -124.39 128.14 48.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' HG12 ' A' ' 135' ' ' ILE . 8.8 pttt -132.74 157.89 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 p -137.66 121.71 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.9 mt -121.78 117.03 30.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.02 65.27 6.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -135.35 168.86 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -58.35 161.43 7.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.14 16.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.8 -43.0 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -51.47 -32.11 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' LEU . 11.3 mt -64.67 -41.81 95.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.04 -33.47 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.623 ' CG2' ' CE2' ' A' ' 97' ' ' PHE . 93.9 t -61.36 -31.01 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -106.56 27.02 18.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.74 -10.85 40.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.427 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 35.8 m -82.18 -13.56 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.37 20.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -117.69 -109.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.654 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.7 p90 36.77 93.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 91.92 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.798 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 62.84 170.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CD1' ' SG ' ' A' ' 137' ' ' CYS . 3.1 t80 59.37 116.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -174.45 70.68 0.31 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.532 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.41 -30.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 107.966 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -123.6 -166.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.57 -90.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.2 150.62 18.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -156.46 150.35 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.67 135.14 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 30.7 p -134.81 119.33 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.7 -178.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 65.0 90.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.18 -143.27 5.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -130.8 156.73 44.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 134.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' VAL . 14.0 t0 -128.14 156.01 43.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -40.58 124.01 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 39.43 34.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 45' ' ' ASP . 55.5 t -147.46 158.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.79 134.23 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 66.3 m -135.02 119.53 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.0 m -152.74 172.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 138.53 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.76 111.66 19.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 103.49 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.37 150.46 28.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.0 mt-30 -124.66 174.36 7.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CA ' HG22 ' A' ' 35' ' ' THR . 1.5 m -133.81 127.0 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 35' ' ' THR . . . -110.69 -57.68 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.51 33.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 14.9 m -108.61 6.02 25.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 52.6 t80 59.18 13.32 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.48 101.8 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 91.5 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -145.6 137.58 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.19 150.74 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -142.18 144.73 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.14 142.18 50.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.485 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -151.86 162.31 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.86 114.6 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -96.7 140.57 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.51 122.81 20.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' CG ' ' HB3' ' A' ' 49' ' ' SER . 0.0 OUTLIER -119.64 153.74 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -145.2 126.09 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.21 -11.82 37.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.72 -23.6 19.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.73 -24.96 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 39.34 10.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.6 160.08 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.474 HD13 ' CB ' ' A' ' 72' ' ' ARG . 9.7 mm -131.46 138.99 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -141.29 139.71 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -136.12 133.27 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -123.03 156.92 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.485 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 5.7 tp -68.04 136.19 53.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -124.31 -56.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -129.87 -3.6 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -58.72 -145.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' LYS . 18.4 Cg_endo -74.97 106.77 2.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -66.07 67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -147.6 -47.51 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' CD ' ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER 168.49 124.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 HD23 ' CG2' ' A' ' 68' ' ' THR . 0.2 OUTLIER -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 91' ' ' LEU . 5.4 m-80 -161.49 147.09 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -143.64 153.7 42.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.42 142.7 8.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 30.1 m95 -131.29 108.15 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -99.95 146.44 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 21' ' ' VAL . 15.4 m-85 -142.8 103.33 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.4 141.22 40.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.28 39.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -152.94 79.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.64 -127.27 9.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.87 -19.18 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -115.36 167.63 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.54 147.57 41.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.469 ' CD ' ' HG2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -112.43 140.35 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.438 HG11 ' CE1' ' A' ' 108' ' ' PHE . 70.2 t -118.39 131.09 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.469 ' HG2' ' CD ' ' A' ' 105' ' ' ARG . 3.1 mt-10 -104.96 119.41 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -109.11 106.95 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.9 m -101.87 116.93 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.606 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -117.05 115.77 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 14.1 mt-10 -136.05 107.67 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -143.49 156.61 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.89 123.76 44.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.634 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 5.3 m-85 -94.5 173.91 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -53.71 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -85.81 118.06 25.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.54 -30.91 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.03 -52.03 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.99 -25.0 67.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.14 -51.03 71.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.63 -38.02 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -48.37 81.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.634 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.8 mt -75.23 -46.77 31.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.61 -12.98 37.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -83.12 -54.02 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 14.5 p30 -72.04 -14.97 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -47.56 -45.74 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 3.2 t0 -60.16 -42.38 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -60.77 -50.85 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.06 70.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.21 -29.23 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.24 -43.85 45.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -71.01 -33.74 70.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -70.68 -39.46 73.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.486 HG12 ' CD ' ' A' ' 8' ' ' LYS . 54.8 mt -67.52 -37.23 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.66 67.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.606 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 43.6 t -64.78 -51.72 60.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 86.2 t80 -62.8 -42.74 99.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -51.71 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.73 88.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.12 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.88 91.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.5 tt0 -72.19 -32.6 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -67.55 -38.06 83.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.36 -55.17 6.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -65.03 -24.44 67.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -91.62 33.92 4.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.513 0.197 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.461 ' NE2' ' OD2' ' A' ' 120' ' ' ASP . 0.5 OUTLIER -92.01 157.96 16.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -125.14 127.04 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.67 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.5 OUTLIER -92.46 127.88 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.595 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.3 138.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.51 116.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.48 ' CG2' ' HD3' ' A' ' 105' ' ' ARG . 1.8 m -110.94 111.58 22.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.35 159.08 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' HB ' ' NH1' ' A' ' 105' ' ' ARG . 11.8 p -133.11 129.13 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.9 mt -132.05 121.35 17.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 60.22 5.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.97 178.31 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -77.09 160.19 76.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.477 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.98 -1.28 11.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.13 -43.13 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.68 -24.1 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.562 HD22 ' CD1' ' A' ' 97' ' ' PHE . 5.1 mt -71.35 -40.37 70.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -36.7 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -30.17 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD11 ' CD2' ' A' ' 138' ' ' PHE . 2.6 mt -72.69 -37.51 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG13 ' CG1' ' A' ' 79' ' ' ILE . 97.8 t -61.5 -27.19 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -113.5 14.83 22.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 21.1 t0 -52.67 -31.05 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 28.1 m -64.56 -11.83 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -145.72 18.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -124.16 -135.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.611 ' CD1' ' OD2' ' A' ' 23' ' ' ASP . 4.8 m-85 51.45 171.49 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo -75.04 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER 162.95 -30.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 13.8 t80 -39.42 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' CH2' ' A' ' 33' ' ' TRP . 3.4 m 27.33 83.47 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.2 Cg_endo -75.01 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -52.96 -20.91 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.8 tt -129.39 -178.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.531 ' CG2' ' C ' ' A' ' 56' ' ' GLN . 0.1 OUTLIER -127.65 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.439 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.522 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.37 154.66 19.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.26 151.34 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 0.763 . . . . 0.0 110.954 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.87 139.68 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.407 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 51.0 p -133.86 119.65 19.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER 179.89 -175.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 t-20 61.5 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.52 -150.57 12.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.84 160.28 31.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.05 132.95 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' VAL . 5.4 t70 -129.03 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 47' ' ' ALA . . . -39.48 125.22 2.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 38.84 35.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ASP . 52.6 t -148.19 155.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -151.36 132.5 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.411 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 85.3 m -133.21 119.77 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.457 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' CG1' ' C ' ' A' ' 50' ' ' THR . 4.5 m -152.69 172.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -81.62 149.39 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.21 107.91 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.83 101.41 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 151.4 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' C ' ' CG2' ' A' ' 35' ' ' THR . 20.5 mt-30 -125.73 168.77 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CA ' HG22 ' A' ' 35' ' ' THR . 0.0 OUTLIER -127.43 126.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' N ' HG22 ' A' ' 35' ' ' THR . . . -104.66 -81.85 1.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -81.73 43.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -108.7 7.17 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 12.0 t80 62.59 9.01 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -142.59 94.62 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.94 93.29 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 66' ' ' PHE . 23.0 mt-10 -145.18 153.82 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -106.99 147.52 29.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.4 m-85 -143.87 155.18 44.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.71 142.25 33.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -149.88 156.5 41.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.58 114.98 20.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.2 p -98.27 140.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HG3' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.3 123.57 28.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.485 ' CB ' HD12 ' A' ' 79' ' ' ILE . 1.3 ptt85 -119.91 148.76 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -142.96 119.83 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -87.46 -6.21 58.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -23.32 16.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.58 -22.64 12.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 63.0 37.54 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.79 161.76 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.485 HD12 ' CB ' ' A' ' 72' ' ' ARG . 11.6 mm -134.74 137.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -141.84 139.4 32.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.68 145.27 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.46 162.95 30.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -69.04 134.31 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 tt -123.45 -56.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -127.85 -4.57 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.74 -142.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' LYS . 18.5 Cg_endo -75.01 110.65 3.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.08 73.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -161.91 -48.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 171.18 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tt -175.52 112.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.1 163.8 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.536 ' ND2' ' CZ2' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -152.67 151.33 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.26 143.6 10.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.536 ' CZ2' ' ND2' ' A' ' 93' ' ' ASN . 36.6 m95 -126.59 107.31 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.78 146.42 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' CD1' HD22 ' A' ' 17' ' ' LEU . 1.2 m-85 -139.12 118.14 12.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -135.67 136.96 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 98' ' ' MET . 18.1 Cg_endo -75.05 151.75 39.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.5 65.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.0 -134.23 11.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.49 -20.11 44.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -112.48 164.95 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.44 147.7 43.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.48 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 38.0 ttm-85 -112.02 136.91 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -116.51 127.69 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.74 116.96 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.475 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 3.3 m-30 -106.16 107.77 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.8 m -107.8 115.76 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -126.3 126.61 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -136.14 132.64 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CD2' ' CD1' ' A' ' 110' ' ' ILE . 4.7 p90 -149.06 166.1 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.34 119.79 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 11.0 m-85 -98.02 172.63 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -52.22 5.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.3 m -88.19 116.55 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.49 -29.37 49.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.81 -52.74 26.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.86 -26.41 68.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.461 ' OD2' ' NE2' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -56.93 -50.79 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.47 -36.88 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -47.91 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 6.7 mt -75.16 -42.29 56.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.436 ' O ' ' NE2' ' A' ' 4' ' ' HIS . . . -64.68 -16.47 62.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.1 -53.43 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 129' ' ' ARG . 6.2 p30 -68.76 -29.12 67.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.67 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -42.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.4 ' N ' HG11 ' A' ' 127' ' ' VAL . 31.2 t70 -63.27 -46.38 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' ASN . 17.4 mmt85 -59.03 -48.69 80.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.75 -46.73 84.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.48 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.11 -45.94 38.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.575 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.81 -35.33 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.579 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.91 -41.83 90.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.77 -45.31 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.05 77.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 15.1 t -61.37 -50.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CD2' HD11 ' A' ' 20' ' ' LEU . 50.8 t80 -61.22 -38.55 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -51.95 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.79 73.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -36.67 84.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.55 94.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.72 -32.69 65.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -37.92 79.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.41 -52.16 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -67.42 -31.55 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -51.27 -57.24 11.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 109.279 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.497 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.549 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 44.6 m-70 -49.08 118.87 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -113.42 120.39 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.461 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.74 131.88 54.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.82 136.38 37.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.21 109.29 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -113.14 126.38 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.7 162.84 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.1 t -136.31 125.84 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 138' ' ' PHE . 12.1 mt -129.32 121.93 20.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 55.62 3.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -119.75 -178.84 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -84.5 162.02 52.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.9 -46.58 43.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.15 -29.14 29.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' LEU . 5.9 mt -65.88 -40.62 91.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -37.98 8.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.8 mt-10 -75.31 -28.45 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.576 HD11 ' CZ ' ' A' ' 138' ' ' PHE . 2.0 mt -77.64 -42.93 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG1' ' CD1' ' A' ' 79' ' ' ILE . 69.5 t -58.14 -33.31 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.56 8.91 24.12 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' OD1' ' CG ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -43.45 -40.16 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG2' HG23 ' A' ' 39' ' ' THR . 16.0 m -43.44 -25.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -127.56 -45.64 1.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.33 -68.81 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CG ' ' OD1' ' A' ' 23' ' ' ASP . 3.1 m-85 -37.5 121.34 0.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -79.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 -152.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.615 ' CE2' ' SG ' ' A' ' 137' ' ' CYS . 1.2 t80 63.5 -133.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 57.17 70.18 1.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.03 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -55.54 -18.28 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.79 178.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -130.27 -91.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.536 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -93.85 153.07 21.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.1 pmm? -159.92 151.12 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.0 135.2 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 HG23 ' CG2' ' A' ' 24' ' ' VAL . 41.0 p -131.43 117.99 19.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -179.36 178.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.46 100.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.07 -144.03 7.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 159.06 43.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -131.14 123.35 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.63 133.2 36.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.32 -133.12 8.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.433 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -94.08 33.54 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.9 147.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.39 127.63 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.444 ' CG2' ' HG3' ' A' ' 71' ' ' ARG . 63.8 m -127.46 126.48 42.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.447 HG22 ' CG1' ' A' ' 70' ' ' VAL . 3.8 m -151.75 171.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' CB ' HD12 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -75.5 148.09 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.16 106.83 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.98 100.44 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.76 157.17 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.491 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.2 mt-30 -127.95 179.83 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CA ' HG23 ' A' ' 35' ' ' THR . 0.8 OUTLIER -135.12 122.9 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 35' ' ' THR . . . -114.74 -52.32 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.7 26.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 m -107.08 6.84 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 25.2 t80 59.26 14.47 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.45 106.69 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 91.35 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 12.6 mt-10 -145.79 158.5 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.9 150.91 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 6.9 m-85 -153.48 157.76 40.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.84 143.46 50.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.454 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -144.44 153.61 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.382 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -80.07 110.47 15.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 6.4 p -88.13 135.17 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' HG3' ' CG2' ' A' ' 50' ' ' THR . 4.5 mtt180 -127.11 110.22 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -106.84 151.84 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 0.0 110.278 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -145.43 118.84 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 3.9 ptpt -91.33 -9.01 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.63 -24.16 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.16 -24.75 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 64.13 37.14 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.69 164.24 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.449 ' CD1' ' CG1' ' A' ' 21' ' ' VAL . 14.5 mm -130.72 139.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -146.37 139.43 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 70' ' ' VAL . 24.5 t -138.08 138.86 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -134.92 172.72 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.27 137.96 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 85' ' ' TYR . 2.4 tt -124.68 -59.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -135.2 -32.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.629 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -28.77 143.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.14 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.629 ' CE2' ' HA3' ' A' ' 86' ' ' GLY . 0.8 OUTLIER -64.6 163.08 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -82.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.65 123.04 33.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -152.34 119.83 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -144.49 129.24 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -135.39 108.95 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.25 149.48 17.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.576 ' CH2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.72 129.4 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.54 154.57 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.493 ' CZ ' ' O ' ' A' ' 77' ' ' ARG . 7.5 p90 -148.52 141.6 24.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.42 166.04 16.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.79 32.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -158.29 89.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.26 -133.51 12.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.51 -21.06 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.82 167.87 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.62 147.81 26.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.463 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 6.4 tmm_? -111.48 127.64 55.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.573 HG13 ' CZ3' ' A' ' 95' ' ' TRP . 58.1 t -121.02 141.63 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 6.8 mt-10 -127.24 123.37 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.7 m -97.85 120.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.598 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -109.32 116.87 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.16 114.87 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -149.45 154.35 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.507 ' CB ' ' SD ' ' A' ' 1' ' ' MET . . . -102.98 136.33 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.604 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -114.05 166.27 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -54.33 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -86.59 128.78 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.43 -38.94 74.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.73 -46.89 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.09 -25.26 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.549 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -56.95 -51.18 70.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -72.46 -39.58 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -46.35 90.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.604 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -74.62 -54.03 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.0 -17.34 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -76.25 -52.95 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 129' ' ' ARG . 3.1 p30 -68.1 -22.48 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.426 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.1 -39.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -61.62 -47.6 84.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 126' ' ' ASN . 16.4 mmt180 -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.454 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.58 -43.08 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 135' ' ' ILE . . . -64.27 -30.12 71.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.87 88.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 3.2 ptpt -70.86 -46.13 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 0.807 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -58.2 -43.51 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 131' ' ' ALA . 27.8 mt -60.49 -45.1 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.23 70.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.615 ' SG ' ' CE2' ' A' ' 30' ' ' PHE . 49.3 t -61.36 -51.47 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 4.9 t80 -63.4 -41.46 98.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.37 -51.28 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.28 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -35.93 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.27 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.93 -32.5 63.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -69.31 -33.72 73.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -57.39 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -64.8 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 37.86 46.93 1.77 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 109.325 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.54 0.21 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.605 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 8.8 m-70 -41.82 118.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 9.1 tmm_? -129.38 144.09 51.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.692 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -132.17 128.22 37.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.602 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 6' ' ' VAL . 1.7 p -97.99 148.13 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 5' ' ' VAL . 2.1 t -144.98 103.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -108.65 133.5 52.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' CD ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -139.59 162.15 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -137.08 114.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 138' ' ' PHE . 10.5 mt -116.18 119.75 36.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 58.22 4.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 146' ' ' HIS . 36.7 m-85 -139.17 -174.01 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -85.24 161.22 52.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.0 3.13 5.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.94 -47.77 76.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -54.36 -26.87 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 9.1 mt -68.28 -40.02 81.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.71 -37.0 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.19 -28.17 42.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.705 ' CD1' ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -76.17 -34.14 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG12 ' CD1' ' A' ' 79' ' ' ILE . 87.5 t -60.34 -38.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -102.08 22.63 37.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.6 t70 -65.1 -9.95 26.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 21.8 m -78.74 -17.8 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.19 18.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.81 -116.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.8 p90 36.52 95.93 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -12.42 21.53 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 1.9 tttm 169.88 90.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.689 ' O ' ' CG ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER 162.14 92.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.653 ' CG1' ' CH2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER 173.15 64.26 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.03 -39.92 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.653 ' CH2' ' CG1' ' A' ' 31' ' ' VAL . 3.5 p90 -51.25 -23.1 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 tt -119.62 171.66 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -121.08 -94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.575 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -87.96 150.31 22.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 36.2 tpp -159.21 149.06 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -168.0 135.71 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 38.6 p -135.59 122.26 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -179.6 177.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 108.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.6 92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.08 -140.19 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.16 158.14 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -129.88 124.3 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.54 133.03 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.44 -132.14 5.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.465 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -95.5 35.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.1 t -134.98 148.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.47 135.25 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.411 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 6.5 m -132.33 124.77 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 3.1 m -151.73 172.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.93 146.04 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.41 108.63 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.68 100.45 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.41 155.34 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.25 175.47 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.508 ' CA ' HG23 ' A' ' 35' ' ' THR . 4.0 m -136.18 126.28 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 35' ' ' THR . . . -97.01 -81.09 1.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.74 48.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 36.4 m -109.91 5.14 22.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' HB3' ' O ' ' A' ' 60' ' ' SER . 53.7 t80 63.74 8.12 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.25 94.26 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 93.21 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -145.07 146.52 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -106.58 150.84 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.92 146.05 33.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.34 140.96 51.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.471 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -151.15 152.45 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.82 109.2 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 3.9 p -85.21 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -129.75 121.14 26.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -120.02 148.21 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 40.8 t0 -142.13 116.93 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -83.12 -8.58 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -96.62 -23.41 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.31 -22.49 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.577 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 59.68 35.77 22.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.403 ' CB ' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -132.44 167.39 20.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.509 ' CG2' ' CD1' ' A' ' 95' ' ' TRP . 1.3 tp -125.3 146.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -152.87 138.26 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' ASN . 70.1 t -138.76 146.82 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 m -133.26 166.34 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.09 134.83 54.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.05 -56.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -4.73 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.01 -156.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 96.76 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -55.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.02 122.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 tt -176.71 128.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -147.31 154.44 40.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 81' ' ' VAL . 15.7 m120 -144.19 119.02 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.19 156.4 26.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.55 ' CZ3' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -150.49 149.17 29.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 78' ' ' SER . 1.7 mtt180 -138.2 156.0 48.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 17' ' ' LEU . 5.1 m-30 -90.06 155.48 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -154.21 94.97 2.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 150.88 38.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -153.47 70.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 -137.78 13.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.29 -28.51 61.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.25 165.02 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.11 147.12 49.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' MET . 0.7 OUTLIER -116.01 130.04 56.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.55 HG12 ' CZ3' ' A' ' 95' ' ' TRP . 57.6 t -109.02 141.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.9 124.21 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -124.05 111.35 15.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.63 125.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.416 ' CD1' ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -114.72 130.86 68.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 42.6 mt-10 -134.66 143.17 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.416 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 7.7 p90 -169.05 160.15 9.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -119.49 121.65 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.501 ' C ' ' CE ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -101.09 166.83 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.67 -54.92 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -76.31 128.21 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.35 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.7 -51.47 62.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.15 -23.59 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.605 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -58.82 -49.76 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.513 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -78.9 -37.05 41.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.462 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.1 mt -75.09 -46.36 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -64.52 -12.01 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -84.14 -53.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.461 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 2.3 p30 -70.86 -17.12 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.692 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -52.44 -44.3 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.3 t0 -63.94 -34.16 77.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -68.54 -46.71 68.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.89 -51.24 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 135' ' ' ILE . . . -61.77 -37.95 86.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.33 97.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.634 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.67 -37.48 87.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.634 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -62.45 -37.36 85.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 131' ' ' ALA . 10.4 mm -69.4 -39.84 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.27 76.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 2.7 t -67.43 -51.42 51.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 1.6 t80 -57.19 -43.58 82.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.89 -51.61 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.1 75.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -37.09 85.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.58 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.5 -32.46 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -69.68 -37.27 76.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -73.34 -54.75 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 12' ' ' TYR . 4.7 m-70 -63.67 -29.31 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.628 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.41 -58.23 14.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.518 0.199 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 120' ' ' ASP . 0.4 OUTLIER -146.01 158.94 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.483 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 8.0 ttp180 -129.59 117.5 20.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.535 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.2 OUTLIER -94.02 131.84 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.624 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 t -108.25 145.91 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.91 118.14 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -124.17 120.07 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 165.13 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 p -133.71 121.04 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.5 116.69 31.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 61.63 5.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.803 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.71 175.33 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 p -62.51 158.85 46.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.75 19.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.7 -39.33 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -50.46 -24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD22 ' CG ' ' A' ' 97' ' ' PHE . 10.2 mt -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -39.44 8.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.65 -28.99 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mt -73.27 -41.47 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG23 ' CE2' ' A' ' 97' ' ' PHE . 48.2 t -60.57 -40.06 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -102.62 22.02 38.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.142 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.34 -13.69 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 39' ' ' THR . 10.7 m -82.84 -17.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 5.5 t70 -126.34 0.71 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.734 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -116.52 -87.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.734 ' O ' ' O ' ' A' ' 26' ' ' ALA . 35.0 p90 44.87 159.26 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -100.46 10.16 41.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 20.2 t80 -138.48 106.32 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG12 ' CH2' ' A' ' 33' ' ' TRP . 5.1 m -142.52 84.82 10.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.04 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.58 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.959 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.5 tt -129.81 -175.33 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -135.47 -90.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.586 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -97.15 149.74 19.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 41.3 tpp -150.76 150.13 30.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -162.38 136.65 6.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.456 HG22 ' CG2' ' A' ' 24' ' ' VAL . 30.5 p -135.72 115.71 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.68 -177.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.6 m-20 68.24 86.61 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -139.81 3.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 158.24 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.27 121.58 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -131.04 131.11 44.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.39 -131.09 9.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' HG3' ' A' ' 74' ' ' LYS . . . -94.94 36.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.7 t -136.22 148.59 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.41 128.47 16.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 24.1 m -126.15 125.24 42.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.0 m -152.06 172.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 137.22 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.27 108.56 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -95.17 101.85 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.65 149.12 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -121.95 179.07 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 35' ' ' THR . 3.6 m -137.69 127.55 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.459 ' N ' HG21 ' A' ' 35' ' ' THR . . . -105.75 -73.22 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.23 41.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 12.5 m -108.62 6.5 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 37.1 t80 60.93 10.34 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.81 94.9 2.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 93.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.31 161.09 40.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 9.6 pttp -124.98 148.52 48.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -145.52 164.47 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.57 142.97 33.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.474 ' HA ' ' HB3' ' A' ' 84' ' ' LEU . 0.6 OUTLIER -147.31 152.64 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.372 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.28 108.18 7.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.77 129.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -116.14 126.22 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' CB ' HD12 ' A' ' 79' ' ' ILE . 2.3 ptm180 -123.17 149.85 44.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -146.85 121.01 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -6.88 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.26 -23.69 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.91 -23.72 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 64.35 39.84 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.98 158.45 42.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.484 HG13 ' CG1' ' A' ' 21' ' ' VAL . 1.1 mm -134.87 141.78 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.57 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 69' ' ' ARG . 21.4 t -135.33 134.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 68' ' ' THR . 4.4 m -129.85 164.81 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 2.3 mp -60.44 143.05 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.644 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.36 -59.85 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.525 ' O ' ' C ' ' A' ' 86' ' ' GLY . 83.7 t80 -133.89 -32.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.59 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -27.18 117.99 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' ' CE1' ' A' ' 88' ' ' PHE . 18.4 Cg_endo -74.99 65.34 6.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.59 ' CE2' ' HA3' ' A' ' 86' ' ' GLY . 0.6 OUTLIER -129.69 -173.41 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -73.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -135.74 143.23 45.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 150.12 51.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.46 158.31 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.54 147.31 10.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.701 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 79.9 m95 -118.37 110.1 17.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -104.35 146.24 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.551 ' CE2' HG23 ' A' ' 21' ' ' VAL . 41.4 m-85 -135.5 124.88 24.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.21 116.42 9.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.44 41.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -153.22 70.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.9 -143.61 16.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.39 -28.73 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.406 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.74 167.66 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.4 147.43 48.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -110.12 129.68 55.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 97' ' ' PHE . 59.3 t -119.61 137.77 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.46 123.57 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.701 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 7.0 t80 -111.56 118.42 35.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.86 125.18 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.574 HG23 ' CZ ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -118.86 120.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -136.63 122.33 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.503 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 4.7 p90 -151.85 163.3 39.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.76 121.11 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' CD1' ' A' ' 123' ' ' LEU . 10.6 m-85 -96.47 172.7 7.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -47.28 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -92.16 118.31 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.22 -28.3 62.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.03 -51.52 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.82 -25.01 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.56 -51.66 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -75.5 -36.63 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.64 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.577 ' CD1' ' CE1' ' A' ' 114' ' ' PHE . 3.3 mt -74.8 -44.23 50.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -67.24 -12.36 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -82.51 -53.73 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.452 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 7.9 p30 -71.82 -20.76 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.535 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.1 -43.93 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 2.6 t0 -62.21 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 19.1 mmt180 -61.63 -52.54 63.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.95 72.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.07 74.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.81 -44.77 88.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.496 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 1.1 pttt -68.89 -39.3 79.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.58 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.97 -38.93 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.74 76.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 19.1 t -64.89 -51.23 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.563 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t80 -63.02 -42.1 99.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -48.41 80.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.55 -42.23 82.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -35.22 80.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.73 94.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.82 -32.94 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.79 -34.36 75.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.56 -55.88 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.61 -28.88 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -56.0 -57.04 20.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.499 0.19 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 124' ' ' ALA . 0.0 OUTLIER -52.09 131.41 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.613 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -128.42 118.01 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.59 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -104.32 128.31 52.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.56 143.85 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.14 139.39 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.69 132.13 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.56 ' HG2' ' N ' ' A' ' 9' ' ' VAL . 22.7 ttpt -136.68 152.09 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.56 ' N ' ' HG2' ' A' ' 8' ' ' LYS . 8.1 p -138.49 122.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 37.3 mt -122.67 119.65 28.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.91 5.32 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.2 173.88 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -63.81 160.52 44.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.18 -45.12 77.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.5 -29.3 24.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.561 HD22 ' CD1' ' A' ' 97' ' ' PHE . 8.8 mt -66.72 -40.9 88.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.64 -36.32 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.5 -30.54 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.593 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.8 mt -72.39 -39.58 67.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG21 ' CE2' ' A' ' 97' ' ' PHE . 57.5 t -60.28 -30.42 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -107.33 24.99 23.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.49 -10.27 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 23.2 m -78.21 -16.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.04 21.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.55 -111.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 34.7 p90 35.17 86.15 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.96 19.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' NZ ' ' OE1' ' A' ' 144' ' ' GLN . 0.6 OUTLIER -102.82 167.05 10.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.17 153.36 15.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG13 ' CH2' ' A' ' 33' ' ' TRP . 6.6 m -135.97 86.25 26.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.05 -20.25 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 108.03 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.9 tt -131.07 -178.38 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -123.69 -90.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.556 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -104.01 150.05 17.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 44.6 tpp -156.58 150.99 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.54 134.82 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.473 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 24.4 p -135.25 123.75 23.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.09 179.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.023 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 0.8 OUTLIER 63.78 93.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.25 -148.59 6.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.77 150.95 52.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.36 121.86 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.41 128.28 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.8 -126.97 14.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 37.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 49' ' ' SER . 31.7 t -136.6 147.79 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.406 ' N ' HG11 ' A' ' 48' ' ' VAL . 16.8 m -146.65 116.59 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.481 ' CG2' ' CD ' ' A' ' 69' ' ' ARG . 9.3 m -115.79 134.77 54.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.6 m -151.73 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.94 138.94 44.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -119.02 106.73 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -99.0 101.45 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.66 153.06 23.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.507 ' C ' ' CG2' ' A' ' 35' ' ' THR . 18.9 mt-30 -127.33 172.41 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.425 ' CA ' HG22 ' A' ' 35' ' ' THR . 0.0 OUTLIER -132.86 125.03 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' N ' HG22 ' A' ' 35' ' ' THR . . . -124.6 -54.36 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -7.87 44.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 46.3 m -84.92 5.78 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 14.1 t80 59.53 12.41 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -125.88 96.04 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 92.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 14.1 mt-10 -145.47 157.69 43.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -125.95 147.06 49.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 64' ' ' GLU . 7.7 m-85 -151.54 152.5 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.22 142.9 51.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.505 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.8 p -145.15 160.12 41.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' CD ' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.38 111.43 17.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.54 120.82 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -106.59 128.7 54.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.466 ' CG ' HD12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -115.52 150.48 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -146.62 131.47 18.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -12.58 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -23.8 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.0 -21.52 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.15 159.88 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.466 HD12 ' CG ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -129.17 144.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -138.16 141.41 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.1 t -137.36 122.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 m -117.92 152.97 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' C ' ' CD2' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -68.63 134.87 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.667 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.71 -60.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.497 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 9.9 t80 -134.36 -4.8 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 66' ' ' PHE . . . -54.26 -111.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.427 ' HG2' ' CB ' ' A' ' 91' ' ' LEU . 18.2 Cg_endo -74.98 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -123.08 45.15 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -150.01 -58.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -179.7 138.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.427 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -173.18 117.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -141.91 141.65 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -133.52 132.11 40.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.476 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -134.15 138.47 10.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 108' ' ' PHE . 23.2 m95 -128.59 108.66 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -111.06 145.97 37.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.565 ' CE2' HG21 ' A' ' 21' ' ' VAL . 16.8 m-85 -142.81 98.87 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.34 129.77 25.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.05 36.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -145.82 63.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.41 -132.48 11.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.69 -20.64 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -109.69 158.38 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.94 148.46 33.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -108.21 133.32 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -121.09 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -108.05 118.22 36.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 1.5 m-30 -103.93 106.78 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' CA ' ' A' ' 94' ' ' GLY . 1.1 m -106.28 118.95 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.476 ' C ' ' CD1' ' A' ' 110' ' ' ILE . 0.4 OUTLIER -119.34 133.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.93 126.99 33.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' HB2' ' NE2' ' A' ' 2' ' ' HIS . 1.5 m-85 -134.11 171.19 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 90' ' ' ARG . . . -141.44 121.54 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -126.9 160.94 29.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -42.83 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -83.82 109.97 17.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.43 -25.33 24.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.12 -56.58 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.9 -24.29 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.0 OUTLIER -61.82 -51.57 67.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.51 -34.28 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -49.86 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 9.2 mt -76.11 -47.19 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.582 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . . . -61.98 -15.37 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -76.87 -53.68 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 127' ' ' VAL . 12.0 p30 -67.66 -25.22 65.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.59 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -46.76 -41.99 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 127' ' ' VAL . 43.7 t0 -63.86 -43.11 97.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -61.07 -46.86 88.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 33' ' ' TRP . . . -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.23 -29.94 70.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.33 -45.3 48.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.572 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.28 -35.0 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.585 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -66.87 -41.98 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.528 ' CG2' ' HD3' ' A' ' 8' ' ' LYS . 19.5 mt -63.3 -41.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.59 78.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.8 t -63.37 -52.0 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.243 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.593 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 84.3 t80 -58.62 -38.1 77.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -64.0 -51.82 62.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.08 77.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.33 93.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.7 OUTLIER -71.63 -32.64 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.418 ' OE1' ' NZ ' ' A' ' 29' ' ' LYS . 16.9 tt0 -67.21 -36.6 82.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -54.35 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -63.8 -30.13 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -57.1 -56.15 26.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.602 ' C ' ' CD2' ' A' ' 2' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.513 0.197 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.602 ' CD2' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -146.81 158.86 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -122.89 119.29 30.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -96.33 131.8 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -110.64 145.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -145.88 131.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -126.07 120.69 30.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -125.47 160.02 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.0 p -136.23 127.69 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 138' ' ' PHE . 11.0 mt -127.49 114.38 21.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.445 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.95 61.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.462 ' CD1' ' CD2' ' A' ' 146' ' ' HIS . 15.2 m-85 -134.42 177.24 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -65.65 160.71 58.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -11.03 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.09 -45.09 71.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mm-40 -50.71 -23.75 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 97' ' ' PHE . 8.4 mt -64.78 -48.17 75.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -34.83 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.27 -29.13 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 138' ' ' PHE . 1.9 mt -75.7 -46.77 29.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' CG1' ' CG1' ' A' ' 79' ' ' ILE . 88.7 t -61.28 -37.94 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.55 23.1 33.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.631 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 24.4 t0 -65.1 -11.55 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 35.7 m -85.06 -11.22 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.78 21.12 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -119.96 -102.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 12.1 m-85 57.98 132.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -80.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.81 70.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.593 ' CE2' ' HD3' ' A' ' 32' ' ' PRO . 20.0 t80 179.84 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.557 ' C ' ' O ' ' A' ' 30' ' ' PHE . 20.0 m 27.16 85.38 0.12 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.564 1.823 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.551 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 1.1 p-90 -44.97 -26.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.471 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -119.44 167.45 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -126.05 -91.08 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.3 154.42 20.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -159.33 151.49 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.05 136.03 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.451 ' CG2' ' HB ' ' A' ' 24' ' ' VAL . 40.3 p -135.49 121.15 19.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.3 -175.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 107.972 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 m-20 61.17 95.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.49 -140.05 5.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 157.66 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -129.33 122.72 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -133.8 129.76 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.94 -132.72 17.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.63 28.21 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.0 t -127.06 148.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.44 130.12 20.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 88.8 m -127.47 122.9 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.2 m -152.23 172.76 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' CB ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.98 143.81 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . . . -126.48 108.12 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -97.95 101.05 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.0 154.66 19.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.456 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.6 mt-30 -125.51 178.94 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 35' ' ' THR . 5.5 m -138.47 122.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' HG21 ' A' ' 35' ' ' THR . . . -116.13 -42.94 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -85.26 14.93 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 48.1 m -101.11 6.28 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 59.3 t80 58.6 13.98 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.66 125.58 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 93.15 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 12.6 mt-10 -144.58 140.94 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 147.11 38.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.644 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -146.9 152.02 37.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 142.42 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.407 ' HB ' ' CG1' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -145.2 154.63 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -76.84 109.15 10.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 53' ' ' ALA . 2.4 p -90.3 133.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -125.86 114.32 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' CB ' HD12 ' A' ' 79' ' ' ILE . 8.2 ptm180 -112.37 150.99 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -147.21 118.56 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.54 -7.19 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.32 -24.35 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.57 -23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.35 36.84 8.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.51 159.35 38.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.493 HD12 ' CB ' ' A' ' 72' ' ' ARG . 0.8 OUTLIER -134.47 143.85 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.61 141.23 26.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 93' ' ' ASN . 59.8 t -132.22 137.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -135.5 173.87 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.59 137.07 58.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 85' ' ' TYR . 2.8 tt -123.99 -59.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.509 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -136.26 -33.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.672 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -27.84 138.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.55 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.672 ' CE2' ' HA3' ' A' ' 86' ' ' GLY . 0.7 OUTLIER -63.86 166.57 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -77.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -103.34 118.32 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.501 HD21 ' CE2' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -149.95 113.52 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -140.75 143.08 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.461 ' CB ' ' HB ' ' A' ' 81' ' ' VAL . 1.1 m-20 -134.26 110.78 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.469 ' CA ' HG22 ' A' ' 109' ' ' VAL . . . -113.33 135.81 12.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 25.3 m95 -129.66 106.58 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -107.21 153.71 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CD2' HD21 ' A' ' 17' ' ' LEU . 1.7 m-85 -145.13 103.83 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.51 128.83 25.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 151.08 38.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -145.44 64.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.91 -132.51 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -19.45 42.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -108.0 167.69 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.53 147.74 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.65 135.36 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.28 129.43 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.8 118.19 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.4 m-85 -103.03 106.93 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.469 HG22 ' CA ' ' A' ' 94' ' ' GLY . 2.0 m -108.01 114.32 46.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.56 ' CD1' ' CD2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -111.5 129.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -136.0 118.46 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CD2' ' CD1' ' A' ' 110' ' ' ILE . 7.1 p90 -144.43 173.37 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.99 122.98 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 2.8 m-85 -100.98 169.09 9.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -53.85 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 m -84.57 125.84 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.39 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.11 -25.12 64.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.52 -51.56 69.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -73.77 -38.25 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -48.04 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.572 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -75.05 -43.73 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -65.68 -14.15 60.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.85 -53.99 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 11.0 p30 -70.21 -24.73 63.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.38 -40.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.8 -48.74 77.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -56.25 -48.03 77.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.94 76.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.0 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.66 79.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -72.51 -43.21 63.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.551 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -60.78 -42.81 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.83 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.7 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.2 t -63.0 -51.08 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.576 ' CD2' HD12 ' A' ' 10' ' ' LEU . 16.7 t80 -61.49 -41.39 97.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.62 -42.01 95.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.24 89.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.31 85.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.7 62.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.99 -35.26 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.52 -55.55 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.462 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 5.4 m-70 -64.19 -30.65 71.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.48 -57.54 18.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.339 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 mmt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.607 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 6.7 m-70 -62.87 118.78 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 21.8 ttp-105 -135.72 145.23 46.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -136.96 137.35 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -111.9 143.73 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.7 129.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -124.16 113.67 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.77 157.99 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 103' ' ' ALA . 50.6 t -131.74 128.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 12' ' ' TYR . 53.8 mt -132.32 114.65 14.79 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.438 ' CA ' ' HB3' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.01 60.25 5.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 18.0 m-85 -121.99 162.24 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -53.7 161.72 1.55 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.99 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -74.83 -47.18 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -52.81 -24.57 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LEU . 11.6 mt -67.99 -43.59 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.98 -35.86 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.58 -32.95 58.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 3.3 mt -72.57 -44.85 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG22 ' CD1' ' A' ' 97' ' ' PHE . 58.3 t -59.06 -41.73 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.03 22.29 33.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.629 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 22.5 t0 -55.66 -31.54 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 m -49.26 -26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ALA . 25.1 t0 -122.09 -48.39 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.35 -87.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 18.4 m-85 39.38 83.37 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -73.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 179.13 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -59.51 174.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.625 ' CG1' ' CZ2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -159.07 91.12 1.98 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -74.92 -41.28 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.625 ' CZ2' ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -47.86 -25.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -123.06 177.4 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -125.31 -93.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.79 151.3 19.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 2.5 tpt -157.51 144.19 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -156.75 132.59 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 p -133.79 117.31 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.413 ' N ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER 177.91 178.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 66.01 98.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.05 -144.03 6.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -139.44 158.62 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.22 121.55 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -132.49 133.22 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.31 -129.43 8.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' CB ' ' HG2' ' A' ' 74' ' ' LYS . . . -97.95 37.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.4 t -137.93 148.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.2 p -146.65 125.45 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 21.2 m -122.95 133.68 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 40' ' ' TRP . 3.6 m -151.43 172.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -77.72 135.96 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . . . -116.29 107.42 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 102.43 13.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.45 153.17 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 9.7 mt-30 -125.51 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 35' ' ' THR . 2.9 m -136.96 123.35 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' HG21 ' A' ' 35' ' ' THR . . . -125.76 169.94 17.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.9 16.05 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.711 ' C ' ' CG ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -107.07 5.51 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.711 ' CG ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 64.41 6.24 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' CD1' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -134.45 107.72 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 100.02 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' HG3' ' CD1' ' A' ' 62' ' ' LEU . 2.7 mm-40 -139.14 142.76 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.61 156.72 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -159.21 153.02 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.96 143.72 51.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.425 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -145.53 152.85 40.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.28 111.87 12.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 53' ' ' ALA . 14.5 p -101.12 128.2 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' ASP . 6.9 ptm180 -118.49 134.44 55.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.49 ' CG ' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -124.88 148.05 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.71 122.29 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -88.3 -11.28 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.75 -24.13 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.24 -25.98 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.61 37.49 7.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.67 164.46 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.492 ' CG1' HG13 ' A' ' 21' ' ' VAL . 6.9 mm -139.82 137.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 5.8 t0 -136.54 148.3 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 70' ' ' VAL . 42.8 t -142.13 131.65 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.4 m -135.28 166.63 22.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.614 ' CD2' ' CE1' ' A' ' 88' ' ' PHE . 2.8 mp -57.07 140.84 47.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -123.21 -56.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.514 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -135.96 -33.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.644 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -27.81 135.06 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.67 18.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.644 ' CE1' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -50.91 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.86 -60.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.39 122.35 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.22 132.18 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.92 153.22 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -140.05 140.89 36.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 133.51 5.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.568 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 26.6 m95 -130.08 115.07 16.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -113.2 140.59 47.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.522 ' CD1' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -142.04 120.64 12.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.09 131.96 8.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.23 35.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.13 175.15 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.42 -129.61 1.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -103.39 -19.98 14.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HB3' ' CA ' ' A' ' 11' ' ' PRO . . . -129.15 165.19 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.57 148.46 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -114.54 135.22 54.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -117.32 123.9 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -98.71 119.28 37.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -112.26 107.96 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.42 114.33 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -110.14 135.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -148.62 168.32 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.04 119.57 19.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' A' ' 123' ' ' LEU . 10.0 m-85 -99.01 174.22 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -53.52 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.0 125.17 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.22 -28.27 69.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.57 -51.6 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.23 -25.61 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.607 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -58.34 -51.21 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -76.06 -37.84 57.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -47.09 87.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' A' ' 114' ' ' PHE . 8.0 mt -74.24 -48.48 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.69 -12.97 38.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -81.36 -54.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.4 p30 -69.16 -21.24 64.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -42.76 -44.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 12.2 t70 -60.82 -46.66 89.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ASN . 7.3 mmt180 -56.54 -48.29 77.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.28 -41.89 76.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.19 -29.77 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.12 84.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.6 ptpt -72.81 -47.58 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.6 -43.48 80.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 134' ' ' LEU . 21.7 mt -61.64 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.07 70.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.68 -51.36 67.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 76.7 t80 -64.59 -40.84 96.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.54 -50.2 74.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.95 84.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -36.04 82.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.437 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -64.67 -42.85 95.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -73.74 -32.57 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.54 -32.67 71.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.62 -53.95 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.34 -38.93 91.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 40.28 51.07 3.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.468 0.175 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.595 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 21.7 m-70 -43.53 118.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -131.34 152.51 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.558 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -138.68 134.28 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 138.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 135' ' ' ILE . 2.1 t -137.06 110.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -123.86 127.26 47.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CE ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -133.58 172.01 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.2 t -135.14 119.54 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.91 113.86 44.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 77.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.821 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -173.34 -174.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 146' ' ' HIS . 36.9 p -73.74 145.21 84.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.02 2.87 6.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -51.59 -44.69 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.507 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 67.0 mm-40 -56.15 -31.49 63.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD12 ' CB ' ' A' ' 14' ' ' PRO . 9.1 mt -64.76 -37.7 88.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -47.69 -37.64 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.23 -29.27 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.7 mt -75.32 -40.54 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 97' ' ' PHE . 84.7 t -61.88 -26.92 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -111.89 5.77 27.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -46.58 -44.43 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' MET . 26.0 m -45.62 -24.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 23' ' ' ASP . 25.3 t0 -119.77 -65.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -37.91 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CD2' ' CG ' ' A' ' 23' ' ' ASP . 8.5 m-30 -31.47 97.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.4 Cg_endo -75.04 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -99.4 82.68 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CD2' HG22 ' A' ' 31' ' ' VAL . 64.5 t80 -170.26 175.58 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.612 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 16.0 t 86.2 90.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.629 ' CE3' ' HB2' ' A' ' 134' ' ' LEU . 3.4 p90 -48.27 -24.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CG2' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -116.26 -174.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.611 ' CG2' ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -135.04 -86.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.611 ' H ' ' CG2' ' A' ' 35' ' ' THR . . . -90.83 151.8 21.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 56.0 tpp -152.91 148.73 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 134.63 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.476 HG23 ' CG2' ' A' ' 24' ' ' VAL . 38.6 p -135.53 118.56 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.67 179.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m-20 67.34 94.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 173.82 -134.77 2.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.39 161.9 40.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.2 p -130.27 125.29 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -134.33 134.85 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.77 -128.08 6.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.13 39.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG2' ' CG ' ' A' ' 73' ' ' ASP . 19.7 t -139.2 149.52 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.467 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 1.4 m -141.7 129.12 21.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.417 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 95.8 m -125.75 123.33 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' CG1' ' C ' ' A' ' 50' ' ' THR . 3.6 m -152.46 172.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 142.29 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.23 108.22 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.69 108.68 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.9 167.87 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' CB ' HG21 ' A' ' 35' ' ' THR . 39.9 mt-30 -126.95 176.5 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.513 ' C ' HG22 ' A' ' 35' ' ' THR . 0.0 OUTLIER -131.02 122.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 35' ' ' THR . . . -92.89 -84.98 1.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.12 48.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 1.1 p -108.71 3.59 22.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' SER . 13.7 t80 74.26 -2.42 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.34 103.45 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 93.05 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -145.26 163.38 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 149.82 33.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -143.26 158.46 43.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.13 142.67 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.473 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -149.77 175.28 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.9 ttp180 -96.82 108.67 21.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.64 136.82 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -128.59 118.73 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' CB ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -116.49 150.27 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.452 ' CG ' ' CG2' ' A' ' 48' ' ' VAL . 39.7 t0 -147.09 128.98 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -11.67 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -26.11 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.77 -22.29 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 60.78 36.39 19.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.11 159.65 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.483 HD13 ' CB ' ' A' ' 72' ' ' ARG . 2.1 mm -133.9 137.45 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -143.97 140.99 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 82' ' ' SER . 55.6 t -135.79 145.46 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 81' ' ' VAL . 5.5 m -133.11 157.1 46.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.3 OUTLIER -65.74 133.66 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 83' ' ' LEU . 1.3 tt -123.28 -58.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.72 -5.12 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.38 -133.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 94.96 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.07 83.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.56 -45.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 170.78 131.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' A' ' 68' ' ' THR . 0.4 OUTLIER -176.5 138.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.8 145.81 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.09 155.07 41.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.68 151.39 8.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.809 ' CZ2' ' CZ ' ' A' ' 108' ' ' PHE . 5.2 m95 -124.69 152.91 43.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -136.65 144.92 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.586 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.4 m-85 -139.23 112.83 8.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.7 135.22 27.18 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.69 36.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -148.08 63.71 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.29 -135.07 12.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.26 -27.6 60.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -103.83 161.7 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.67 147.32 40.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 9.9 tmm_? -109.62 130.9 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 17' ' ' LEU . 59.5 t -120.62 138.49 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 19.2 mt-10 -129.86 130.82 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.809 ' CZ ' ' CZ2' ' A' ' 95' ' ' TRP . 9.6 t80 -125.47 123.29 38.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -107.3 133.11 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.573 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 1.5 pp -124.19 126.86 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -136.46 138.77 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' A' ' 110' ' ' ILE . 4.1 p90 -168.78 160.87 10.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.11 128.37 56.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.636 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 0.8 OUTLIER -106.73 164.51 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.509 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.14 -53.97 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -79.01 129.28 34.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -50.25 63.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.62 -26.04 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.595 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -56.93 -49.17 76.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -78.3 -38.3 42.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.636 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -72.77 -47.14 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.92 -12.58 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -82.91 -53.83 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.472 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 11.5 p30 -70.66 -21.04 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -45.64 -44.87 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 31.8 t70 -62.76 -40.96 98.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -61.02 -46.66 89.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.85 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.44 -43.97 98.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -67.34 -36.53 81.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.629 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.32 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.46 ' CD1' HG11 ' A' ' 6' ' ' VAL . 56.0 mt -75.15 -43.39 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.59 -49.78 17.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.543 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 27.9 t80 -58.37 -33.66 69.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.99 -51.54 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.66 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -34.72 77.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 138' ' ' PHE . . . -65.4 -42.14 92.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.7 tt0 -74.37 -32.64 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.08 -36.53 77.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.06 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.447 ' NE2' ' OG1' ' A' ' 13' ' ' THR . 9.1 m-70 -72.61 -16.8 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -125.2 44.68 1.23 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.304 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.472 ' HG3' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.561 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 23.8 m-70 -44.47 126.9 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -135.78 135.27 39.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -130.78 141.86 50.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -115.52 147.78 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.49 ' CG1' HD11 ' A' ' 135' ' ' ILE . 1.1 t -140.66 116.29 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -122.41 122.36 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 168.96 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.3 128.76 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 138' ' ' PHE . 4.3 mt -131.92 125.78 20.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 61.77 5.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 142' ' ' ALA . 83.2 m-85 -127.88 -179.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -81.84 161.39 61.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' CA ' HD11 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.01 0.94 8.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 52.8 t0 -71.74 -46.08 59.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' A' ' 145' ' ' LEU . 2.9 mm-40 -50.63 -22.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' CG ' ' A' ' 97' ' ' PHE . 10.4 mt -66.72 -48.1 70.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -45.21 -33.07 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mt-10 -77.48 -37.02 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 138' ' ' PHE . 1.5 mt -70.05 -45.14 67.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG1' ' CD1' ' A' ' 79' ' ' ILE . 61.7 t -62.86 -32.06 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.2 3.53 56.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 11.9 t0 -53.16 -35.7 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.484 HG21 ' CG2' ' A' ' 39' ' ' THR . 35.5 m -63.49 -13.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.34 9.67 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -131.69 -131.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.535 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 6.5 m-85 32.01 57.27 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 45.54 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -179.17 162.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CD1' ' HD3' ' A' ' 32' ' ' PRO . 0.6 OUTLIER 57.29 -134.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 23.8 m 47.64 69.32 2.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.645 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -75.01 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.554 ' CZ3' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -45.2 -29.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 108.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.4 tt -116.43 167.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -121.23 -91.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.581 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.9 155.49 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.6 151.68 22.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 130.0 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' CG2' HG21 ' A' ' 24' ' ' VAL . 46.9 p -130.63 118.9 21.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.439 ' N ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER 179.11 179.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.14 90.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -177.3 -138.16 2.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -143.94 155.16 43.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.0 p -130.93 120.45 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -132.38 134.03 44.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.41 -134.13 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.14 35.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.5 t -136.19 147.26 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.51 144.07 32.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.441 ' OG1' ' CG ' ' A' ' 71' ' ' ARG . 53.4 m -142.41 124.3 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 40' ' ' TRP . 3.1 m -152.1 172.56 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 143.05 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.08 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.15 103.44 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.41 154.65 23.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -122.38 -179.96 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.483 ' CA ' HG22 ' A' ' 35' ' ' THR . 0.1 OUTLIER -138.08 125.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 35' ' ' THR . . . -118.37 -39.76 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -93.82 20.01 8.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.4 t -104.58 5.48 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 35.6 t80 59.65 12.09 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tp -136.05 100.57 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.25 92.25 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -145.01 162.37 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.29 159.9 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 2.8 m-85 -152.51 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.86 144.04 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 4.1 p -149.84 178.52 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.46 106.08 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 51' ' ' VAL . 2.6 p -87.12 140.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' CG ' ' OG1' ' A' ' 50' ' ' THR . 0.3 OUTLIER -132.18 120.21 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HG2' ' CD1' ' A' ' 79' ' ' ILE . 13.0 mtt180 -115.53 145.9 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -143.83 119.39 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.15 -6.82 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.3 -24.26 15.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.6 -21.97 13.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.75 37.13 12.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.8 157.95 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CD1' ' CG1' ' A' ' 21' ' ' VAL . 2.1 mm -130.92 135.44 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -139.35 141.53 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASN . 13.4 t -139.09 124.57 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.8 m -109.22 150.53 27.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -69.23 142.8 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt -119.2 -55.68 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.548 ' O ' ' C ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -134.49 -37.16 0.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . 24.93 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.1 Cg_endo -75.01 -2.48 12.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.456 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER 72.96 46.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HE2' ' NZ ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -148.82 -53.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.78 142.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 68' ' ' THR . 6.8 tt -171.05 153.95 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -160.18 153.95 22.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.1 m-20 -159.65 143.22 14.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.14 148.79 14.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.749 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 54.6 m95 -123.9 146.11 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 mmm180 -133.26 148.54 51.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.519 ' CG ' HD21 ' A' ' 17' ' ' LEU . 1.3 m-85 -137.14 100.64 4.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.19 31.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.13 40.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -151.05 74.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.33 -134.26 11.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.86 -24.47 41.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.771 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.51 166.62 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.33 147.99 43.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -110.63 132.75 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.69 138.6 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.41 129.83 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.749 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.1 t80 -123.83 120.49 32.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.0 m -107.22 116.18 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -105.74 138.08 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 15.5 mt-10 -136.14 143.52 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 1' ' ' MET . 21.0 p90 -168.84 156.58 7.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.472 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -119.64 125.07 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.652 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 6.1 m-85 -101.23 167.87 9.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -91.51 -51.89 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.57 130.62 35.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.31 76.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.41 -48.53 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.55 -25.61 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.561 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -57.31 -51.11 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.2 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -43.63 77.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.652 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -75.07 -44.15 49.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.35 -14.89 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.3 -54.05 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.437 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 5.1 p30 -68.43 -25.62 65.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.45 -40.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -47.99 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' ASN . 11.1 mmt180 -58.52 -49.46 77.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.43 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.08 -46.51 27.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CE ' ' CB ' ' A' ' 33' ' ' TRP . 8.1 pttt -65.6 -41.94 92.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.604 ' CD1' ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -59.6 -48.89 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.604 ' N ' ' CD1' ' A' ' 134' ' ' LEU . 23.0 mt -58.14 -39.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.92 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.631 ' SG ' ' CD2' ' A' ' 30' ' ' PHE . 40.7 t -62.51 -52.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 4.0 t80 -58.35 -39.84 80.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.14 -51.5 63.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.75 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 27' ' ' TYR . 1.1 mtt-85 -64.48 -39.63 94.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.433 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.1 tt0 -74.12 -32.86 63.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.419 HD11 ' NE2' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -76.89 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -64.3 -30.95 71.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 38.12 49.95 2.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.53 0.205 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 17.0 m-70 -74.01 118.62 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.469 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -135.01 146.46 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.0 135.46 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.8 t -113.35 144.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 135' ' ' ILE . 0.7 OUTLIER -138.81 121.68 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -122.58 111.72 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.536 ' HE2' ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -116.68 161.98 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.34 130.75 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 10.9 mt -135.47 128.94 18.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 63.7 6.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 14.5 m-85 -127.57 175.58 8.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 p -74.42 162.34 74.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -18.93 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.16 -39.97 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -52.48 -29.58 25.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 97' ' ' PHE . 31.0 mt -63.96 -41.72 97.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.6 -38.05 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.2 mt-10 -79.21 -26.42 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD23 ' CD1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -74.89 -45.52 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.591 HG23 ' CE2' ' A' ' 97' ' ' PHE . 33.3 t -62.09 -28.32 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -110.31 7.45 30.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.593 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 13.0 t0 -44.54 -34.46 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' CG2' ' CG2' ' A' ' 39' ' ' THR . 33.1 m -49.26 -21.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -136.71 -52.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -33.98 -63.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' OD2' ' A' ' 23' ' ' ASP . 3.3 m-30 -42.25 166.84 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -75.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -178.12 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.603 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 3.0 t80 -26.37 -94.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.569 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 6.0 m 31.48 93.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.5 Cg_endo -74.97 -28.81 8.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.533 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.5 OUTLIER -62.93 -14.52 48.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.07 -174.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -130.92 -96.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.524 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.03 149.41 19.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.79 151.6 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 111.055 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 135.56 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.481 ' CG2' ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -135.36 116.83 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -178.61 179.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.24 94.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.71 -140.31 3.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -139.22 159.62 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.39 117.54 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.01 129.77 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.09 -127.31 11.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.469 ' HB2' ' CG ' ' A' ' 74' ' ' LYS . . . -99.21 34.56 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.37 146.86 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 19.3 m -138.55 122.7 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.466 ' OG1' ' CG ' ' A' ' 71' ' ' ARG . 97.7 m -117.71 129.74 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 3.9 m -152.04 172.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.84 136.29 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.99 108.39 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -103.51 101.41 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 158.46 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' C ' ' CG2' ' A' ' 35' ' ' THR . 32.5 mt-30 -134.88 166.61 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' CA ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -126.63 125.99 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' N ' HG21 ' A' ' 35' ' ' THR . . . -110.89 -58.85 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.3 32.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.5 m -107.39 6.7 28.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 80.7 t80 60.01 12.09 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.05 94.5 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.74 92.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -145.75 138.66 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 5.6 mttt -95.68 151.73 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.5 m-85 -143.74 153.45 42.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.495 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 2.6 p -151.21 167.03 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.2 113.31 25.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 2.3 p -90.81 141.95 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' CG ' ' OG1' ' A' ' 50' ' ' THR . 4.5 mtp180 -136.0 112.52 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.4 OUTLIER -109.47 152.93 24.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -136.18 131.83 35.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 23.6 pttt -94.56 -13.5 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -98.36 -22.6 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.22 -22.32 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 35.48 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 164.19 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.05 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.484 ' CG1' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.63 152.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' ARG . 35.4 t70 -146.62 136.18 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 48.2 t -133.3 124.81 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 m -117.99 150.51 39.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.495 ' HA ' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -62.62 134.7 56.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.48 -58.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -134.69 -0.51 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -51.16 -117.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.448 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.0 -37.89 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 2.0 t80 72.39 40.98 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -48.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.56 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -177.29 131.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -147.8 140.28 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 108' ' ' PHE . 33.8 t30 -131.79 125.54 32.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.11 143.06 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.734 ' CE2' ' CE1' ' A' ' 108' ' ' PHE . 73.9 m95 -114.66 147.59 39.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -141.08 145.16 35.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE2' HG23 ' A' ' 21' ' ' VAL . 9.2 m-85 -152.24 111.15 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.9 132.33 23.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 150.08 37.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -148.73 65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.1 -136.05 12.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.65 -23.84 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.01 159.21 16.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -110.12 147.7 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -106.74 127.96 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.498 ' CG2' ' NZ ' ' A' ' 8' ' ' LYS . 56.5 t -122.42 134.31 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.734 ' CE1' ' CE2' ' A' ' 95' ' ' TRP . 24.0 t80 -123.82 119.59 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.73 114.96 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -110.55 136.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.469 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 17.6 mt-10 -135.61 140.42 44.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -164.88 157.69 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.455 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -117.48 120.33 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 123' ' ' LEU . 1.9 m-85 -97.52 161.22 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.98 -53.87 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 m -78.92 123.28 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.44 76.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.84 -51.61 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.6 -26.8 68.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 2' ' ' HIS . 1.4 t0 -55.88 -51.52 67.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 125' ' ' ALA . . . -75.78 -38.19 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -47.63 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -74.67 -49.2 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.55 -13.24 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 121' ' ' ALA . . . -80.94 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.0 p30 -70.1 -23.0 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.469 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.25 -37.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.32 -53.19 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.402 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.0 mpt_? -54.89 -47.16 74.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.451 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.91 -43.23 81.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -67.11 -26.65 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.84 -41.84 61.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 2.2 ptpt -71.89 -45.91 59.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.533 ' HB2' ' CD2' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -56.8 -43.75 81.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.425 ' CD1' HG13 ' A' ' 6' ' ' VAL . 55.6 mt -61.54 -47.21 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.0 72.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.03 -50.63 71.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CD1' HD23 ' A' ' 20' ' ' LEU . 1.7 t80 -60.26 -39.52 87.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.91 -52.16 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.16 83.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -35.96 82.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.599 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -64.66 -43.15 94.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.26 -32.75 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.35 -49.69 25.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -69.93 -30.99 68.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -54.19 -57.36 17.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.489 ' CE1' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CB ' ' HG2' ' A' ' 111' ' ' GLU . 8.0 ttp180 -104.74 128.28 52.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.653 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -103.54 130.75 51.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.22 130.47 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.872 HG11 ' HB1' ' A' ' 131' ' ' ALA . 10.4 t -130.62 105.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -109.15 139.68 43.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.73 158.4 43.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 1.019 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.8 t -136.36 132.6 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.0 mt -139.78 129.84 14.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 64.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.948 ' CE2' ' HB1' ' A' ' 142' ' ' ALA . 81.7 m-85 -130.76 167.26 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.4 p -72.09 161.05 80.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.0 -0.92 10.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.69 -48.69 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -27.95 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.0 mt -68.97 -38.96 79.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.28 -37.65 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.47 -28.84 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -74.93 -35.94 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.717 HG13 ' CG1' ' A' ' 79' ' ' ILE . 75.7 t -61.36 -38.17 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.55 14.94 59.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 35.9 t70 -50.17 -19.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 39' ' ' THR . 7.0 m -67.05 -17.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.22 25.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -108.12 -94.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 29.4 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.913 HG13 ' CE3' ' A' ' 33' ' ' TRP . 9.3 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.913 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -56.37 -21.65 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.53 HG23 ' N ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -120.78 179.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -135.17 -91.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' H ' HG23 ' A' ' 35' ' ' THR . . . -88.29 150.04 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 6.0 tmm? -151.67 150.06 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 37' ' ' MET . 1.3 ttt180 -168.44 131.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 24' ' ' VAL . 23.7 p -136.22 119.1 16.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -178.57 -179.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.035 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 2.8 m-20 63.51 97.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.08 -136.21 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -150.04 155.86 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.512 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.5 p -128.18 122.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.06 132.24 43.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.01 -132.44 6.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.986 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.76 35.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG22 ' CG ' ' A' ' 73' ' ' ASP . 38.3 t -135.63 149.42 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.512 ' OG ' HG23 ' A' ' 44' ' ' VAL . 24.1 m -145.22 136.93 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 16.1 m -136.09 123.04 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.448 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 70' ' ' VAL . 2.5 m -151.5 171.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.37 145.34 47.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -127.84 108.85 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.29 101.39 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.39 154.14 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 3.8 mt-30 -123.25 179.31 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 60' ' ' SER . 3.5 m -136.62 121.83 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.85 -93.79 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -75.65 54.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.8 t -107.39 1.81 23.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 60' ' ' SER . 7.5 t80 77.5 -6.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 2.7 tt -142.52 96.88 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 93.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 8.5 mt-10 -144.64 166.13 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -121.02 162.41 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HE1' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -153.1 146.4 24.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 68' ' ' THR . . . -121.74 143.42 49.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.835 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -154.68 156.64 36.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -80.59 106.21 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.1 p -88.28 128.49 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -121.53 114.5 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.714 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -110.22 144.74 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.593 ' CG ' HG22 ' A' ' 48' ' ' VAL . 13.8 t0 -137.05 129.96 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.986 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.92 -13.39 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -25.53 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.27 -23.77 15.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 61.1 35.92 18.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.4 159.28 39.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.717 ' CG1' HG13 ' A' ' 21' ' ' VAL . 8.1 mm -128.07 138.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -141.41 140.09 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 70' ' ' VAL . 79.0 t -135.55 120.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.9 m -103.36 162.51 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.835 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -78.76 137.93 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.801 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.8 tt -120.54 -56.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.731 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.87 -39.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -174.81 106.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -115.11 148.03 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -155.52 136.4 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 147.34 17.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.961 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -130.39 133.08 46.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' VAL . 1.5 mtt180 -139.19 153.14 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 2.2 p90 -153.82 136.86 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 158.43 58.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.31 35.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -157.64 87.76 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.06 -132.18 10.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.11 -20.8 28.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.79 167.88 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.69 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.42 148.64 32.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -112.66 130.44 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.961 HG11 ' CH2' ' A' ' 95' ' ' TRP . 59.7 t -122.12 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -125.8 135.88 52.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.35 118.44 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 m -99.78 123.68 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.13 124.7 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 3' ' ' ARG . 26.3 mt-10 -137.18 122.94 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.4 p90 -153.49 157.16 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.76 128.21 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.205 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.2 m-85 -107.11 174.18 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 -54.42 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -79.11 124.68 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.41 75.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.04 -50.91 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 119' ' ' LEU . 12.5 mt -66.6 -24.48 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.6 OUTLIER -58.87 -50.58 73.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.56 -36.31 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.69 95.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.205 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -74.63 -54.31 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.02 -18.03 12.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.66 -53.95 6.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 27.5 p30 -69.79 -10.98 60.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.429 HG11 ' CG ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -53.11 -36.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.23 -50.02 71.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.3 mpt_? -56.45 -47.47 79.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -55.62 -44.58 77.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.872 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -67.95 -26.54 66.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.01 -36.84 73.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.8 ptpt -75.4 -45.65 37.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 134' ' ' LEU . 65.8 mt -63.98 -57.39 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.93 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.58 -51.11 66.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 20' ' ' LEU . 2.3 t80 -61.51 -42.17 98.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.49 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -62.82 -45.66 91.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.5 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.65 76.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.948 ' HB1' ' CE2' ' A' ' 12' ' ' TYR . . . -63.74 -43.78 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -32.79 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -69.61 -30.42 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.01 -55.33 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.465 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 41.1 m80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -122.46 118.99 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.591 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -111.03 131.91 54.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.82 149.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.594 HG12 ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -140.69 117.47 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -121.84 128.74 51.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.594 ' HE3' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -137.12 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.618 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.5 t -134.9 125.24 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 9' ' ' VAL . 49.3 mt -129.99 115.56 17.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 67.64 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.56 -176.22 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -81.73 160.75 63.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.02 -6.19 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.52 -47.85 37.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -52.61 -34.25 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.87 -38.53 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.92 -35.39 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.29 -31.21 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -70.05 -46.5 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.789 HG22 ' CE1' ' A' ' 97' ' ' PHE . 54.1 t -61.5 -30.8 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -106.81 27.41 16.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.43 -10.4 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG2' HG21 ' A' ' 39' ' ' THR . 4.7 m -81.87 -17.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.87 12.26 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.635 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -118.35 -91.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.0 p90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 4.9 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -74.98 -37.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.44 1.758 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.817 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -55.66 -19.13 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 35' ' ' THR . 1.4 tt -131.0 -177.44 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -130.21 -91.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.579 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -99.58 155.52 19.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.13 150.23 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.78 134.29 6.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.2 p -130.41 123.87 30.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.452 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.34 179.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 62.85 98.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.29 -144.0 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -140.63 164.92 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 126.75 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -133.29 132.79 41.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.94 -131.58 10.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -95.68 33.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' CG ' ' A' ' 73' ' ' ASP . 41.3 t -135.96 152.32 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -143.52 141.55 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 71' ' ' ARG . 31.4 m -134.87 124.97 25.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -151.84 171.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.77 138.22 41.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -124.17 108.48 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 67' ' ' ALA . 10.1 tt0 -100.3 100.75 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.16 17.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -125.19 -179.47 4.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.543 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -133.82 124.79 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' PHE . . . -138.77 76.28 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.9 t80 161.64 -23.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.3 p -79.4 8.26 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 7.0 t80 63.68 9.27 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 93.85 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 92.34 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 57' ' ' VAL . 10.6 mt-10 -145.07 134.46 23.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 145.89 26.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.96 154.97 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -131.01 141.89 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.934 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 p -148.6 170.74 17.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -94.12 109.07 20.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 11.8 p -91.8 136.68 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.644 ' HG2' HG23 ' A' ' 50' ' ' THR . 74.2 mtt180 -126.89 113.17 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' CD ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.654 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.4 t0 -144.36 123.69 13.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.761 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 2.2 pttt -93.52 -5.3 49.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.64 -23.4 16.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.03 -23.77 10.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.37 35.85 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 163.73 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.13 151.31 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.0 138.64 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 36.8 t -134.79 123.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.5 m -119.93 150.81 39.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.934 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -60.94 132.44 53.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 85' ' ' TYR . 5.6 tt -123.26 -56.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.607 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -126.99 -4.61 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.53 109.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -140.78 162.85 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . 41.9 t30 -153.32 160.32 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.34 139.66 6.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.814 ' CZ2' ' CE1' ' A' ' 108' ' ' PHE . 90.5 m95 -116.98 146.02 43.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 3.1 mmm180 -142.22 146.9 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.789 ' CE1' HG22 ' A' ' 21' ' ' VAL . 1.9 m-85 -151.44 101.48 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.1 mtp -127.1 141.3 40.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.03 159.73 40.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' NH1' ' A' ' 105' ' ' ARG . 2.6 pt-20 -150.05 57.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.63 -124.63 7.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.12 -20.69 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.65 167.85 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.64 147.88 40.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NH1' ' CD ' ' A' ' 100' ' ' GLU . 7.6 ttm105 -113.63 135.96 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 97' ' ' PHE . 57.3 t -121.99 136.16 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.71 129.85 49.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CE1' ' CZ2' ' A' ' 95' ' ' TRP . 23.0 t80 -125.7 119.25 27.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.4 125.84 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -118.14 137.43 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.53 121.7 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.75 155.38 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -109.03 122.68 47.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.7 m-85 -102.05 173.65 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -54.28 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 m -85.06 120.7 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.43 71.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.66 -52.89 26.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.95 -27.0 69.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.465 ' CG ' ' CE1' ' A' ' 2' ' ' HIS . 1.1 t0 -56.28 -51.61 67.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.699 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.36 -36.23 53.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.7 mt -74.86 -47.82 28.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.47 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -62.88 -13.8 38.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.37 -54.25 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.613 HD21 HD23 ' A' ' 123' ' ' LEU . 18.6 p30 -68.63 -20.34 64.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -48.25 -42.62 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -44.21 94.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -60.86 -54.34 46.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -55.35 -33.04 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.869 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.91 -47.9 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.3 -46.44 71.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.514 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 5.0 pttt -61.29 -42.7 99.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -58.1 -40.82 82.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.579 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 40.5 mm -63.76 -41.73 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.74 76.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.84 -51.94 62.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 16.0 t80 -62.46 -41.83 99.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.19 -48.91 79.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.53 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.91 79.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.04 89.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -32.54 65.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.46 -31.67 70.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.6 tp -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.591 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.412 ' ND1' ' CG ' ' A' ' 120' ' ' ASP . 33.4 m80 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 4.6 ttp180 -112.09 121.67 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.587 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -106.24 132.34 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 144.13 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.95 112.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -115.54 129.01 56.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.522 ' HZ3' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.06 162.24 33.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.739 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.6 p -135.07 130.18 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 9' ' ' VAL . 22.0 mt -136.16 120.29 12.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 64.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -139.86 171.35 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 p -72.44 161.05 81.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.02 0.3 9.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.35 -45.94 71.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -52.87 -33.19 48.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.3 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -46.11 -40.93 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.36 -26.72 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -74.55 -41.77 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.708 HG13 HD11 ' A' ' 79' ' ' ILE . 88.1 t -57.54 -30.28 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.65 26.63 11.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.81 -7.33 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' HG21 ' A' ' 39' ' ' THR . 3.7 m -81.5 -21.74 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.589 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 5.4 t70 -121.95 -40.45 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . -72.0 -98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 35.2 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.815 ' HB ' HG22 ' A' ' 34' ' ' ILE . 14.2 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.23 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.72 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -56.65 -19.98 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.815 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -128.76 -172.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.45 -90.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.441 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.67 155.04 21.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.83 151.89 16.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 131.83 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.566 HG21 ' CG2' ' A' ' 24' ' ' VAL . 67.6 p -130.85 120.97 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.08 179.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 0.9 OUTLIER 63.67 98.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.59 -142.53 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -143.9 152.49 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -119.8 126.55 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.9 131.35 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.18 -130.4 6.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -96.46 36.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.602 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.1 t -136.58 149.09 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m -137.66 131.36 31.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.681 HG23 ' HG3' ' A' ' 71' ' ' ARG . 84.4 m -127.58 124.54 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.39 172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.3 146.75 38.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -131.72 107.86 9.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.624 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -104.08 101.2 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.38 157.79 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.5 mt-30 -126.18 -179.68 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.487 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.26 125.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.31 159.57 22.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 56.35 16.28 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -107.28 8.45 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 6.3 t80 62.15 10.12 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 94.86 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 92.75 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -144.95 151.05 38.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -119.66 158.68 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 11.0 m-85 -153.59 152.47 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' ' CG ' ' A' ' 54' ' ' GLU . . . -131.35 141.75 49.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -150.81 159.21 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -79.77 110.99 15.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.9 ' HA ' HG22 ' A' ' 81' ' ' VAL . 4.4 p -87.39 133.49 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.3 mtt-85 -128.13 124.77 37.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.18 46.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.231 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 48' ' ' VAL . 37.3 t0 -143.79 131.84 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.805 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.63 -9.92 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -96.95 -23.34 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.89 -27.28 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.6 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.13 161.4 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -123.96 140.6 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -150.48 137.18 19.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.9 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.5 t -139.79 131.53 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.5 m -119.23 159.18 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.949 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 tp -64.47 135.75 56.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -122.89 -57.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -4.15 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.767 HD12 ' CB ' ' A' ' 112' ' ' PHE . 2.1 tt -165.53 114.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.3 148.23 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.6 109.55 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.21 147.77 17.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.623 ' CZ2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -145.54 128.8 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.472 ' CD ' ' HB3' ' A' ' 78' ' ' SER . 2.5 mmt180 -134.81 159.0 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.853 ' CD2' HD13 ' A' ' 17' ' ' LEU . 1.4 p90 -150.45 135.63 17.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 mtt -144.96 157.2 54.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.446 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 18.2 Cg_endo -75.01 150.11 37.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 99' ' ' PRO . 21.8 mt-10 -162.99 95.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.34 -134.55 12.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.39 -26.17 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.74 167.37 10.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.05 147.92 26.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 131.99 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.623 HG11 ' CZ2' ' A' ' 95' ' ' TRP . 82.4 t -121.59 141.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -127.52 124.24 37.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 8.0 t80 -120.55 121.54 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.85 139.92 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.2 pp -126.4 122.57 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 4.7 mt-10 -136.02 127.85 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 110' ' ' ILE . 1.1 p90 -156.51 160.93 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.59 121.53 44.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 120' ' ' ASP . 1.6 m-85 -102.2 171.89 7.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -51.85 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.74 113.17 24.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.7 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.65 -54.1 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.92 -23.99 66.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.556 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 1.2 t0 -59.25 -52.1 67.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.84 -35.37 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -50.68 73.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.657 HD23 HD21 ' A' ' 126' ' ' ASN . 4.0 mt -75.37 -40.8 57.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -64.48 -16.62 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.43 -54.14 7.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.657 HD21 HD23 ' A' ' 123' ' ' LEU . 8.5 p30 -68.21 -25.03 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.22 -41.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -62.17 -46.86 87.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' ASN . 5.2 mmt180 -60.91 -54.16 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.89 -35.25 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.833 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -70.78 -34.17 71.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.19 95.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.501 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.3 pttt -70.27 -41.68 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -60.51 -42.51 96.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.522 HG12 ' HZ3' ' A' ' 8' ' ' LYS . 71.5 mt -63.19 -46.17 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.15 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.22 -51.42 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 14.8 t80 -62.42 -40.68 97.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.78 82.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -36.52 81.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.94 92.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -32.36 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -73.13 -28.1 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -60.01 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -133.31 117.29 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.644 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -99.26 127.45 45.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -105.25 145.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 135' ' ' ILE . 1.8 t -145.0 104.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -114.94 122.05 45.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 168.06 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.599 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.3 t -135.25 120.91 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 138' ' ' PHE . 20.7 mt -119.53 119.94 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -74.96 62.85 5.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -143.85 177.29 8.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -70.41 159.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.31 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -67.95 -39.25 83.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 138' ' ' PHE . 3.2 mp0 -53.41 -25.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 106' ' ' VAL . 15.8 mt -68.2 -42.23 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -39.76 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.2 -27.56 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 2.0 mt -77.4 -40.91 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.919 HG13 HG13 ' A' ' 79' ' ' ILE . 74.2 t -61.64 -38.44 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.88 21.85 41.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.96 -8.51 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 17.6 m -84.66 -18.17 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -136.37 10.95 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.1 -90.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.99 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.689 ' CZ2' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.0 -31.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.692 HD11 ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -122.48 -169.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.97 -91.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.585 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.37 156.54 22.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.3 pmm? -161.75 151.78 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.88 131.3 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 31.4 p -133.36 120.65 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.84 176.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.93 100.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 177.2 -136.05 2.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -144.32 156.23 44.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.7 p -132.51 119.08 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -130.83 128.83 41.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.28 -130.63 8.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.86 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.54 35.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.3 t -133.82 146.9 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.662 ' OG ' HG23 ' A' ' 44' ' ' VAL . 9.3 m -145.55 131.56 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.844 HG23 ' HG3' ' A' ' 71' ' ' ARG . 57.5 m -131.91 128.12 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.4 m -152.35 172.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.96 140.45 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.07 114.23 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -110.39 100.99 9.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -106.31 164.62 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 35' ' ' THR . 25.5 mt-30 -128.94 -178.8 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.558 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.05 125.38 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.67 68.26 0.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 172.63 -27.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.82 8.04 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.654 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 63.44 10.0 4.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.44 93.8 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 91.99 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.7 mt-10 -145.57 134.02 21.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -95.03 153.01 17.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.9 155.15 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.46 142.27 47.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.866 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.2 p -150.74 162.23 41.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HG3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -85.38 112.3 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.9 p -93.29 136.09 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.844 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.4 mtp180 -128.37 118.35 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.8 OUTLIER -115.19 152.1 33.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.55 ' CG ' HG22 ' A' ' 48' ' ' VAL . 8.8 t0 -146.44 126.62 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.86 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.25 -20.98 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -88.69 -27.5 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -97.07 -22.96 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 3.3 mtm-85 60.74 35.35 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 163.78 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.919 HG13 HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -139.24 141.49 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.87 141.79 24.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 70' ' ' VAL . 14.2 t -137.07 133.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.1 m -114.83 152.86 31.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -74.42 136.71 42.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -124.07 -59.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -134.16 -2.36 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -175.72 146.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.12 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -141.54 129.79 22.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -139.8 145.31 16.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.758 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 84.0 m95 -126.59 112.44 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -112.68 149.37 32.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.693 ' HZ ' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -131.19 130.46 43.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 115.92 4.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.0 156.86 43.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.441 1.759 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.54 60.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.27 -136.54 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -70.07 -30.76 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.73 163.05 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -120.39 147.4 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -115.3 130.22 56.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 17' ' ' LEU . 61.9 t -120.29 141.28 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.53 127.62 48.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.766 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 5.0 t80 -120.01 117.32 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.32 131.19 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.766 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -129.54 137.36 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -136.38 138.27 41.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.87 171.73 14.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -140.53 120.97 14.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 47.5 m-85 -128.27 158.18 38.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -40.72 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -83.61 109.58 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.05 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.69 -57.93 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.89 -26.87 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -57.74 -51.48 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.723 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -79.03 -32.57 45.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -49.35 76.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.685 HD23 HD21 ' A' ' 126' ' ' ASN . 6.5 mt -75.73 -45.8 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -63.65 -16.19 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -75.79 -53.41 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.685 HD21 HD23 ' A' ' 123' ' ' LEU . 7.9 p30 -66.5 -27.64 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -43.26 -40.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.11 -45.55 91.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' ASN . 8.5 mmt85 -58.82 -49.57 77.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.34 82.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.412 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -69.42 -29.19 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.31 -47.72 28.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.43 -33.81 76.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.689 HD12 ' CZ2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -68.35 -41.19 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.532 HG13 HD23 ' A' ' 134' ' ' LEU . 53.1 mt -62.77 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.42 77.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.3 t -63.09 -51.43 66.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.345 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.714 ' CE2' HD12 ' A' ' 10' ' ' LEU . 14.8 t80 -60.11 -39.03 84.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.48 -49.28 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.91 91.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -36.2 83.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.66 96.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.88 -32.68 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.01 -35.11 76.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.12 -54.75 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.9 m80 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.407 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 5.6 ttt180 -135.28 116.45 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.652 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -106.69 131.84 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.604 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.72 133.09 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.67 103.45 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -112.59 135.31 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -144.13 169.41 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.5 t -134.89 124.57 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 9' ' ' VAL . 6.8 mt -125.83 120.04 24.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 76.88 3.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CE2' ' HD2' ' A' ' 11' ' ' PRO . 66.1 m-85 -149.74 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -76.78 161.24 74.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.711 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 0.82 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.36 -45.41 69.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 16.3 mt-30 -52.16 -23.0 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 14' ' ' PRO . 4.9 mt -75.12 -42.02 57.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -45.12 -37.45 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.21 -33.82 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -72.57 -39.49 67.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.925 HG13 ' CG1' ' A' ' 79' ' ' ILE . 78.0 t -61.12 -40.11 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.4 15.76 58.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 21.4 t0 -50.17 -21.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.1 m -66.78 -12.4 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.33 25.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -110.45 -88.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 73.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.05 HG13 ' CE3' ' A' ' 33' ' ' TRP . 48.0 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.16 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 1.05 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -58.47 -16.03 13.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -131.75 178.13 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -129.64 -94.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.388 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.601 ' H ' HG23 ' A' ' 35' ' ' THR . . . -101.25 151.83 18.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -162.34 152.32 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.07 133.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 24' ' ' VAL . 82.4 p -126.31 120.26 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.25 177.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 65.76 100.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.32 -144.82 7.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -142.95 153.05 42.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.47 124.76 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -133.14 130.69 39.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.12 -132.59 6.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.912 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.2 35.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.5 t -134.62 148.49 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.35 131.55 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.045 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 71' ' ' ARG . 54.9 m -130.48 125.04 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.681 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -151.92 171.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -79.37 136.18 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -122.88 108.12 12.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 37' ' ' MET . 15.6 tt0 -103.89 99.9 9.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.7 171.48 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.51 ' C ' ' CG2' ' A' ' 35' ' ' THR . 53.8 mt-30 -136.85 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 64' ' ' GLU . 1.2 m -130.25 123.53 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.75 153.25 17.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.69 15.09 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 81.5 p -101.75 8.21 41.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 4.1 t80 62.82 9.15 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.0 tt -138.94 94.08 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 94.14 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.9 mt-10 -144.59 132.66 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -95.45 156.61 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 14.9 m-85 -146.73 152.77 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 85' ' ' TYR . . . -126.82 141.33 51.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.904 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -153.3 157.86 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.681 ' HE ' HH21 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -82.74 109.86 17.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.1 p -89.77 135.62 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.681 HH21 ' HE ' ' A' ' 69' ' ' ARG . 4.3 mtt180 -127.62 128.62 45.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -127.87 146.95 50.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.566 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 t0 -143.2 116.82 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.912 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -25.86 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -101.17 -22.27 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 60.01 36.4 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 161.6 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.925 ' CG1' HG13 ' A' ' 21' ' ' VAL . 1.7 mm -133.17 139.88 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.42 140.14 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.7 t -134.47 136.02 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.8 m -119.68 158.56 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.904 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -67.4 134.42 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.754 ' N ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -124.32 -60.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -128.15 -2.43 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 91' ' ' LEU . 8.3 tt -176.18 130.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -152.07 148.51 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -149.93 149.06 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.94 148.01 14.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 108' ' ' PHE . 57.2 m95 -119.22 126.65 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.77 146.77 42.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.891 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.9 m-85 -145.22 111.84 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.4 136.5 29.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.22 40.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 -136.74 12.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.64 -26.9 60.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -105.88 167.12 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 147.39 43.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.429 ' HG3' HG22 ' A' ' 9' ' ' VAL . 5.0 ttm180 -105.77 133.64 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 97' ' ' PHE . 57.9 t -120.68 138.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -129.53 123.25 30.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.796 ' CE2' ' CH2' ' A' ' 95' ' ' TRP . 3.9 t80 -113.12 119.86 39.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.44 123.37 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.89 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.1 pp -117.4 119.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 36.1 mt-10 -136.48 118.37 15.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.89 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.5 p90 -149.14 157.25 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.1 121.13 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.5 m-85 -95.37 161.58 14.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -52.98 6.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -85.43 128.13 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.75 73.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.53 -46.65 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' A' ' 123' ' ' LEU . 13.3 mt -69.5 -24.16 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -59.07 -51.2 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -74.8 -35.55 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -48.55 78.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.734 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.7 mt -75.0 -40.92 60.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -69.96 -14.22 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.94 -54.34 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.3 p30 -69.8 -25.18 63.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -41.72 -34.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.76 -52.98 54.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER -59.77 -53.01 63.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.435 ' CA ' ' HE2' ' A' ' 133' ' ' LYS . . . -54.49 -37.08 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.67 -45.39 90.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.93 81.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HE3' ' CB ' ' A' ' 33' ' ' TRP . 2.3 pttt -60.84 -42.25 97.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -57.65 -41.0 80.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.455 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 29.3 mm -66.6 -50.04 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.91 63.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.1 t -67.89 -51.38 48.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 2.8 t80 -60.65 -44.9 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -48.95 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.81 73.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.404 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -64.64 -41.5 96.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 146' ' ' HIS . 1.6 tt0 -75.23 -32.89 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -71.49 -36.54 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.85 -59.9 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 120' ' ' ASP . 34.8 m80 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -120.2 125.62 48.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.654 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -108.76 140.9 41.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.06 139.12 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 131' ' ' ALA . 2.2 t -136.41 108.04 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -120.34 119.41 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 155.0 39.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p -126.55 114.37 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.51 121.03 32.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.92 63.53 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.1 177.77 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -76.56 161.54 74.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.04 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -72.4 -46.63 54.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -54.15 -23.69 15.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.4 mt -71.05 -41.52 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.17 -36.62 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.28 -28.96 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -71.29 -39.99 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.863 HG22 ' CZ2' ' A' ' 95' ' ' TRP . 12.7 t -59.81 -43.21 91.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -97.33 24.63 30.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.7 t70 -67.38 -7.16 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HB ' HG21 ' A' ' 39' ' ' THR . 15.9 m -87.17 -18.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -131.37 6.61 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.656 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -123.34 -90.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 44.3 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.752 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 25.8 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.0 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.752 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -52.76 -21.29 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.5 tt -127.12 -177.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.08 -91.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.56 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -90.45 148.16 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 42.1 tpp -153.97 147.91 25.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -167.36 131.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.634 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.1 p -135.73 118.84 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.43 179.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.26 92.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.69 -136.82 2.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 162.68 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.1 p -134.5 119.92 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -130.2 131.12 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.72 -131.57 7.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.88 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.92 35.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.8 148.04 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.498 ' OG ' HG23 ' A' ' 44' ' ' VAL . 59.1 m -141.88 134.2 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.515 HG23 ' HG3' ' A' ' 71' ' ' ARG . 47.3 m -129.3 126.84 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -151.36 172.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -75.89 144.67 41.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -123.61 109.08 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.62 101.95 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.25 153.0 30.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -124.46 -178.73 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.8 OUTLIER -137.78 124.92 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.72 -60.23 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.43 33.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 4.0 m -106.54 6.64 30.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 60' ' ' SER . 28.8 t80 62.79 13.35 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 62' ' ' LEU . 3.8 tp -145.13 113.24 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -83.91 90.96 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.37 164.58 31.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 157.33 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -146.61 154.73 41.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' THR . . . -136.67 139.52 42.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -154.39 155.31 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -80.11 110.28 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.6 p -88.2 135.55 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.5 mtp180 -123.58 114.8 20.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 72' ' ' ARG . 4.2 mtm105 -108.65 148.23 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 33.4 t0 -141.26 127.77 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.88 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.43 -12.06 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -95.36 -22.89 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.34 -21.93 13.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' O ' ' CZ3' ' A' ' 95' ' ' TRP . 1.8 mtm105 61.18 33.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.74 160.63 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -128.16 152.24 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -151.55 137.83 18.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG12 ' HB ' ' A' ' 68' ' ' THR . 28.4 t -127.16 138.27 55.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.2 m -118.9 154.59 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.886 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -71.37 130.84 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' A' ' 85' ' ' TYR . 1.8 tt -124.86 -56.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.838 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -133.47 -1.53 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 91' ' ' LEU . 6.3 tt -176.82 127.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.34 146.58 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -141.94 157.9 44.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 163.05 20.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.863 ' CZ2' HG22 ' A' ' 21' ' ' VAL . 12.4 p-90 -149.18 151.0 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.91 142.34 42.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' A' ' 95' ' ' TRP . 20.4 m-30 -94.14 145.44 24.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.07 93.46 2.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 148.99 36.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 57.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.13 -130.01 8.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.09 -19.86 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.17 167.44 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.72 146.62 50.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.48 125.8 46.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.7 t -110.98 141.76 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' TRP . 7.2 mt-10 -126.09 131.43 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.4 118.94 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -99.11 125.66 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.846 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.31 123.35 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -136.36 117.59 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.846 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.0 p90 -146.79 160.79 41.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.56 129.08 55.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.831 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -108.58 169.23 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -54.38 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 m -93.12 121.8 34.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.88 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.87 -50.19 63.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.87 -24.62 66.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.68 -52.13 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.09 -34.98 61.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -49.04 77.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.831 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.9 mt -75.66 -42.94 49.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.552 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -66.84 -14.37 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.49 -53.28 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.536 HD21 HD23 ' A' ' 123' ' ' LEU . 6.0 p30 -69.12 -24.08 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.23 -44.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.9 t0 -62.24 -44.32 96.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.5 OUTLIER -59.59 -49.1 79.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.22 84.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.3 -32.31 73.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.39 85.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.493 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 8.8 pttt -72.18 -37.72 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.92 -40.15 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.57 -35.77 62.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.74 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.61 -50.37 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.572 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 62.7 t80 -65.75 -45.62 81.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -47.68 83.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.92 80.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.46 80.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.12 95.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.96 -32.84 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.01 78.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.07 -56.5 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.548 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 29.8 m80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.43 143.26 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.654 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -127.86 131.04 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.41 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 2.2 p -103.76 152.55 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.648 HG11 HD11 ' A' ' 135' ' ' ILE . 1.3 t -148.81 115.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -119.06 113.47 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 160.03 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 ' O ' HD23 ' A' ' 10' ' ' LEU . 9.6 p -136.49 122.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -137.46 130.31 16.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.0 70.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -129.85 168.66 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 13' ' ' THR . 3.3 p -80.59 166.45 39.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.05 -1.29 11.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 18' ' ' PHE . 8.1 t0 -74.87 -48.03 27.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 1.9 mm-40 -51.26 -39.74 57.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.002 HD12 ' HA ' ' A' ' 14' ' ' PRO . 2.3 mt -59.25 -39.0 81.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' ASP . 17.3 t80 -45.95 -39.48 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.26 -32.25 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.77 -35.73 70.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.011 HG13 HD11 ' A' ' 79' ' ' ILE . 79.3 t -60.38 -34.66 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.08 27.68 16.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 5.7 t70 -71.05 -6.76 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG23 HG21 ' A' ' 39' ' ' THR . 20.7 m -79.68 -14.21 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' A' ' 27' ' ' TYR . 16.7 t70 -133.49 -36.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.735 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -80.69 -93.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.735 ' O ' ' O ' ' A' ' 26' ' ' ALA . 50.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.578 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.28 -22.24 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 108.03 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.56 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.0 tt -128.85 -179.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -127.65 -90.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.572 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.92 152.33 19.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 22.5 tpp -154.47 151.34 28.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -163.46 139.35 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.642 HG21 HG23 ' A' ' 24' ' ' VAL . 51.4 p -135.82 119.27 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.498 ' NE1' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -179.38 177.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.498 ' ND2' ' NE1' ' A' ' 40' ' ' TRP . 1.2 m-20 65.82 100.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.86 -144.15 7.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.62 160.28 40.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.92 124.4 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -134.25 132.9 40.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.84 -131.29 6.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -95.34 37.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.64 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.6 t -136.42 149.34 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.4 130.46 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.707 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.9 m -127.48 125.82 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 110.369 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.21 172.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.03 138.97 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -114.93 107.95 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.01 100.61 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.07 153.88 26.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' CG2' ' A' ' 35' ' ' THR . 3.8 mt-30 -124.66 179.84 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.542 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -135.7 125.15 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.98 -47.22 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 37.3 t80 -75.6 -5.46 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -85.51 5.02 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 16.8 t80 58.81 12.12 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -128.03 105.38 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 92.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.34 158.09 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -126.03 152.53 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -151.97 156.91 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.33 141.97 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.922 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -147.71 156.86 43.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 3.3 tpt180 -78.47 112.08 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.0 p -93.83 131.8 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.48 125.49 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.72 152.89 46.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t0 -145.91 129.84 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.795 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 4.3 pttt -90.83 -11.8 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 -24.04 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.86 -28.25 13.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 60.85 38.14 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.43 160.72 33.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 1.011 HD11 HG13 ' A' ' 21' ' ' VAL . 16.4 mm -125.6 137.77 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -143.14 139.4 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.0 t -139.04 135.87 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.1 m -122.46 155.63 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.979 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -74.05 132.56 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.979 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -124.04 -56.22 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -132.54 -1.95 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CD2' HG21 ' A' ' 68' ' ' THR . 3.7 tt -176.63 145.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.85 165.85 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -155.21 118.23 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.32 141.66 12.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.859 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -143.22 131.55 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -138.91 158.98 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.865 ' CD2' HD13 ' A' ' 17' ' ' LEU . 14.6 p90 -154.72 145.47 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -151.32 138.12 11.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 149.52 36.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.94 176.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 37.98 -132.46 1.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.82 -21.45 15.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -128.77 164.49 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -92.77 148.36 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.13 127.61 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.859 HG11 ' CH2' ' A' ' 95' ' ' TRP . 57.7 t -120.04 139.49 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -123.87 127.75 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -125.66 108.44 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 109' ' ' VAL . 26.8 m -108.32 118.42 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -107.47 134.49 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 88.2 mt-10 -124.17 147.67 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -173.87 159.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -123.36 120.33 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.865 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.7 m-85 -96.77 170.23 9.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 -52.31 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -81.99 119.5 24.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.36 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 118' ' ' LEU . 3.2 mm? -70.43 -54.07 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.51 -26.71 68.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.548 ' OD1' ' CG ' ' A' ' 2' ' ' HIS . 2.4 t0 -56.52 -51.57 68.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.95 -37.47 55.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.88 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.865 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.0 mt -74.85 -47.61 29.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -63.51 -13.14 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.4 -53.63 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.487 HD21 HD23 ' A' ' 123' ' ' LEU . 11.4 p30 -71.74 -25.01 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -44.47 -42.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.23 -44.93 93.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.71 -49.47 77.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.37 78.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.648 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.17 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.84 -45.86 91.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.088 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.0 pttt -69.1 -41.03 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -61.86 -41.54 97.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.648 HD11 HG11 ' A' ' 6' ' ' VAL . 31.9 mt -62.61 -47.28 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.37 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 28.3 t -62.05 -50.99 69.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.92 -39.01 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.484 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.91 -51.5 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.52 72.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -37.02 85.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.499 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -63.82 -43.49 96.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.78 66.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.21 -34.49 77.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -51.85 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.598 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 35.2 m-70 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -125.31 117.82 24.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.68 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.12 142.44 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 16.2 t -105.11 145.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.683 HG12 HD11 ' A' ' 135' ' ' ILE . 2.9 t -150.52 103.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -121.42 124.4 44.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -129.4 158.52 38.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.636 ' O ' HD23 ' A' ' 10' ' ' LEU . 55.4 t -136.69 130.26 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -139.67 130.47 14.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.97 56.25 4.18 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.5 m-85 -115.17 161.32 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.6 p -66.0 162.79 42.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.878 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 14.3 t0 -74.56 -48.04 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -51.48 -23.0 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.3 mt -69.13 -44.99 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -45.13 -32.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.62 -35.41 45.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.632 HD11 ' CG ' ' A' ' 138' ' ' PHE . 2.9 mt -75.89 -38.23 58.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.868 HG22 ' CE2' ' A' ' 97' ' ' PHE . 40.6 t -61.73 -35.56 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -104.71 23.26 31.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.82 -16.22 6.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.5 m -83.96 -12.19 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.6 14.21 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.629 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.91 -94.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.632 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.4 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 1.9 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HD2' ' CD ' ' A' ' 133' ' ' LYS . 18.5 Cg_endo -74.95 -37.41 2.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -48.61 -23.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -123.42 176.12 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -135.35 -90.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.71 154.85 20.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.62 151.69 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.81 132.13 5.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 70.8 p -131.66 118.56 20.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.35 179.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.9 97.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 175.3 -149.04 9.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -135.39 160.03 39.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -125.31 127.81 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.27 130.95 37.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.97 -131.71 6.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.44 36.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 73' ' ' ASP . 33.7 t -136.53 149.09 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.59 133.44 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 71' ' ' ARG . 83.8 m -127.72 122.4 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.3 m -152.22 172.27 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.32 139.6 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -125.58 111.94 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -104.09 100.21 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 154.73 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.466 ' C ' ' CG2' ' A' ' 35' ' ' THR . 15.7 mt-30 -125.23 178.71 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.505 ' C ' HG21 ' A' ' 35' ' ' THR . 1.4 m -135.24 126.0 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.33 -65.43 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.0 35.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.4 m -108.05 5.53 26.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 55.4 t80 59.9 11.61 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -139.12 94.62 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 91.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -145.54 161.22 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.1 ptmt -121.02 150.97 40.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 3.5 m-85 -146.94 147.2 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 68' ' ' THR . . . -125.79 141.6 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.78 156.43 40.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.392 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.0 ttt180 -78.14 110.02 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.1 p -88.29 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.37 114.78 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -109.65 155.46 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.675 ' CG ' HG22 ' A' ' 48' ' ' VAL . 15.0 t0 -147.33 126.35 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.902 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -92.01 -10.75 38.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -23.09 15.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.17 -26.71 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 9.2 mmt-85 61.92 36.51 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.492 ' O ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -131.63 153.39 49.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.752 HD11 ' CG1' ' A' ' 21' ' ' VAL . 20.7 mm -119.93 142.55 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -144.55 137.26 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' VAL . 98.2 t -135.33 130.58 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.9 m -120.78 161.81 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.919 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.7 tp -63.86 131.35 47.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.7 tt -123.4 -56.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.558 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -129.62 -4.2 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 112' ' ' PHE . 2.3 tp -173.24 116.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -140.14 138.66 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.0 t-20 -150.73 124.38 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.81 161.73 33.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.698 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -146.49 166.63 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -131.71 147.22 52.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.868 ' CE2' HG22 ' A' ' 21' ' ' VAL . 20.3 m-85 -123.28 106.93 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.85 148.73 71.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.04 38.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -158.68 91.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -131.95 10.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -89.22 -19.88 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.51 168.0 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.77 147.89 24.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.499 ' HA ' HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -108.39 130.67 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 97' ' ' PHE . 60.7 t -121.05 131.48 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.85 124.15 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 1.6 t80 -123.82 120.42 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.1 m -106.85 126.5 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -113.32 118.2 57.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -137.19 119.49 15.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.821 ' HB3' HD12 ' A' ' 91' ' ' LEU . 1.4 m-85 -151.72 154.72 36.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.11 120.87 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 8.4 m-85 -97.23 168.64 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -50.0 7.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 m -87.2 118.14 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.52 64.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.35 -54.08 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.91 -29.0 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.598 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 3.4 t0 -53.72 -52.38 60.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.61 -41.25 39.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.41 ' O ' ' HB3' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -53.96 -46.56 71.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.7 mt -74.15 -44.27 54.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -60.28 -16.47 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 122' ' ' MET . . . -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.793 HD21 HD23 ' A' ' 123' ' ' LEU . 7.6 p30 -67.24 -26.1 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -44.67 -41.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.06 -40.64 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.8 mmp_? -64.64 -50.46 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -58.94 -49.84 76.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -62.0 -29.17 70.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.72 -50.27 25.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.38 -36.94 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.9 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -63.0 -42.68 99.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 6' ' ' VAL . 52.2 mt -61.94 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.94 -51.71 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.632 ' CG ' HD11 ' A' ' 20' ' ' LEU . 15.4 t80 -57.86 -39.29 77.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.55 ' HG3' HD22 ' A' ' 10' ' ' LEU . 1.8 tt0 -65.04 -52.08 57.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.01 77.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -38.67 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -62.77 -43.39 98.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.23 -32.8 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -67.57 -37.35 82.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.02 -50.66 21.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.503 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 42.2 m80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -123.79 146.09 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.718 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -128.94 137.16 51.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.594 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 11.8 t -104.1 147.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.421 HG12 HD11 ' A' ' 135' ' ' ILE . 2.4 t -149.18 111.22 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -118.09 131.73 56.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.713 ' HD3' HG23 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -138.71 163.53 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.717 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.4 p -136.52 126.88 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 138' ' ' PHE . 40.0 mt -126.55 117.1 22.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 70.78 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -152.22 -176.1 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.7 p -78.92 160.68 71.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.894 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 0.83 8.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.01 -49.09 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.66 -33.53 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -62.79 -39.42 94.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -46.81 -37.93 9.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -26.34 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.783 HD13 ' CH2' ' A' ' 95' ' ' TRP . 1.5 mt -73.35 -46.03 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 44.0 t -59.71 -41.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.78 27.15 21.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' HA ' ' H ' ' A' ' 27' ' ' TYR . 10.3 t70 -68.73 -8.29 41.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.896 ' CG2' HG21 ' A' ' 39' ' ' THR . 27.0 m -87.22 5.02 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.646 ' O ' ' CZ ' ' A' ' 27' ' ' TYR . 4.7 t70 -148.39 -35.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.657 ' O ' ' CD1' ' A' ' 27' ' ' TYR . . . -81.49 -57.84 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.657 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.19 2.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.895 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.27 -19.48 14.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -132.26 179.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -132.57 -91.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.556 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.61 152.69 20.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.402 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.01 151.36 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.53 129.65 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.896 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -130.7 120.31 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.66 177.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.56 99.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.32 -140.57 4.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 157.76 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.01 124.24 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.01 133.26 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.35 -131.85 5.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.937 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.7 37.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.506 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.3 t -136.1 147.87 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.3 m -141.72 121.73 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.651 HG23 ' HG3' ' A' ' 71' ' ' ARG . 55.1 m -117.62 127.47 53.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -152.27 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.67 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.06 107.81 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 100.58 11.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.4 156.68 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.496 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.9 mt-30 -128.2 175.4 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.8 m -131.33 124.44 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.38 -66.25 0.67 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.15 40.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 9.3 t -107.81 5.98 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' SER . 88.0 t80 60.15 11.7 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 1.8 tt -145.26 95.26 2.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 92.54 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.7 mt-10 -145.97 152.37 39.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -116.09 162.78 16.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 45.3 m-85 -157.03 157.24 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.19 142.62 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -150.72 157.09 42.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.597 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -82.01 108.51 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.623 ' HA ' HG22 ' A' ' 81' ' ' VAL . 11.5 p -87.36 131.77 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -119.82 111.46 18.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 21' ' ' VAL . 5.5 mtp180 -104.72 149.81 25.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.506 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.3 t0 -147.1 122.26 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.937 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -92.77 -9.79 39.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -96.32 -23.56 16.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.06 -21.64 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.586 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 5.9 mtt180 60.72 37.13 19.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.04 161.67 33.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.665 HG13 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -130.68 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.54 142.35 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 70' ' ' VAL . 37.7 t -137.53 123.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.5 m -110.75 157.3 19.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.023 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -68.78 132.71 47.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.023 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -122.29 -56.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -133.28 -1.2 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.5 OUTLIER -176.46 114.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -133.3 145.93 50.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -144.52 109.63 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.9 144.85 16.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.783 ' CH2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -139.5 128.03 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -137.12 141.49 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.804 ' CD1' HD13 ' A' ' 17' ' ' LEU . 17.1 p90 -140.16 143.61 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.1 mtm -148.58 168.68 10.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -159.08 89.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.07 -134.65 13.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.48 -23.53 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.24 165.63 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 147.9 27.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -108.81 132.4 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.559 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 59.1 t -119.71 140.79 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.7 124.96 39.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.65 113.67 18.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.02 143.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.854 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.5 pp -127.67 125.73 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -136.26 124.52 23.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.854 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.7 p90 -155.62 157.36 36.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.92 121.58 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.0 m-85 -99.07 174.2 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -51.64 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.73 129.36 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.66 -46.52 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.04 -23.94 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 2' ' ' HIS . 1.2 t0 -60.61 -51.89 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.03 -38.56 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -46.15 89.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.8 mt -75.29 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -60.87 -14.02 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.37 -53.72 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.23 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 123' ' ' LEU . 6.9 p30 -68.65 -27.76 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -41.56 -41.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.89 -47.68 82.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.5 mmt85 -58.95 -50.95 72.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.86 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.858 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.87 -32.32 73.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.92 -45.81 79.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.495 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 9.2 pttt -67.32 -39.39 85.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.858 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -63.58 -41.8 98.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.713 HG23 ' HD3' ' A' ' 8' ' ' LYS . 67.5 mt -64.02 -40.12 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.76 81.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.4 -51.59 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 10' ' ' LEU . 19.5 t80 -58.59 -40.78 84.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.97 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.44 -37.38 65.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -64.26 -45.3 88.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.34 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -32.18 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -66.74 -38.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -55.24 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.4 m80 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 120' ' ' ASP . 50.2 m80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 19.7 ttt180 -117.95 124.98 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.637 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -120.74 128.39 52.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.95 136.28 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 108' ' ' PHE . 2.0 t -135.68 128.53 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -124.39 128.14 48.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' HG12 ' A' ' 135' ' ' ILE . 8.8 pttt -132.74 157.89 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.524 ' O ' HD23 ' A' ' 10' ' ' LEU . 14.1 p -137.66 121.71 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 9' ' ' VAL . 15.9 mt -121.78 117.03 30.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.02 65.27 6.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -135.35 168.86 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -58.35 161.43 7.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.99 -5.14 16.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.8 -43.0 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -51.47 -32.11 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 97' ' ' PHE . 11.3 mt -64.67 -41.81 95.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.04 -33.47 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.3 mt -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.109 HG22 ' CE2' ' A' ' 97' ' ' PHE . 93.9 t -61.36 -31.01 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -106.56 27.02 18.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.74 -10.85 40.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.683 ' HB ' HG21 ' A' ' 39' ' ' THR . 35.8 m -82.18 -13.56 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.37 20.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.625 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -117.69 -109.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.654 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.7 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.617 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.966 ' CE2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.41 -30.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 107.966 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.626 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -123.6 -166.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.626 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -139.57 -90.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.2 150.62 18.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -156.46 150.35 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.67 135.14 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.683 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.7 p -134.81 119.33 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.7 -178.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 65.0 90.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.18 -143.27 5.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -130.8 156.73 44.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 134.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' VAL . 14.0 t0 -128.14 156.01 43.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -40.58 124.01 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.764 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . 39.43 34.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 46' ' ' GLY . 55.5 t -147.46 158.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.79 134.23 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.685 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.3 m -135.02 119.53 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.74 172.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 138.53 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.607 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -117.76 111.66 19.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 103.49 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.37 150.46 28.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.0 mt-30 -124.66 174.36 7.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.479 ' C ' HG21 ' A' ' 35' ' ' THR . 1.5 m -133.81 127.0 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.69 -57.68 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.51 33.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 14.9 m -108.61 6.02 25.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 52.6 t80 59.18 13.32 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.48 101.8 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 91.5 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 57' ' ' VAL . 7.5 mt-10 -145.6 137.58 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.19 150.74 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -142.18 144.73 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' THR . . . -122.14 142.18 50.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.924 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -151.86 162.31 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.86 114.6 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 51' ' ' VAL . 11.3 p -96.7 140.57 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -136.51 122.81 20.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.652 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -119.64 153.74 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 48' ' ' VAL . 46.4 t0 -145.2 126.09 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.764 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -91.21 -11.82 37.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.72 -23.6 19.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.73 -24.96 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 39.34 10.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.6 160.08 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.798 ' CG1' HG13 ' A' ' 21' ' ' VAL . 9.7 mm -131.46 138.99 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -141.29 139.71 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 70' ' ' VAL . 72.6 t -136.12 133.27 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.8 m -123.03 156.92 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.924 ' HA ' HG22 ' A' ' 68' ' ' THR . 5.7 tp -68.04 136.19 53.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -124.31 -56.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -129.87 -3.6 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.725 HD21 HG21 ' A' ' 68' ' ' THR . 0.2 OUTLIER -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 91' ' ' LEU . 5.4 m-80 -161.49 147.09 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -143.64 153.7 42.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -159.42 142.7 8.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 30.1 m95 -131.29 108.15 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -99.95 146.44 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 1.109 ' CE2' HG22 ' A' ' 21' ' ' VAL . 15.4 m-85 -142.8 103.33 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.4 141.22 40.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.01 151.28 39.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -152.94 79.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.64 -127.27 9.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.87 -19.18 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -115.36 167.63 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.54 147.57 41.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.468 ' CD ' ' HG2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -112.43 140.35 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.407 HG22 ' HD1' ' A' ' 97' ' ' PHE . 70.2 t -118.39 131.09 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG2' ' CD ' ' A' ' 105' ' ' ARG . 3.1 mt-10 -104.96 119.41 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -109.11 106.95 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 94' ' ' GLY . 16.9 m -101.87 116.93 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.682 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -117.05 115.77 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 14.1 mt-10 -136.05 107.67 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -143.49 156.61 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.89 123.76 44.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.122 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 5.3 m-85 -94.5 173.91 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -53.71 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -85.81 118.06 25.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.54 -30.91 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.03 -52.03 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 123' ' ' LEU . 92.6 mt -64.99 -25.0 67.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.529 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -58.14 -51.03 71.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.655 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.63 -38.02 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -48.37 81.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.122 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.8 mt -75.23 -46.77 31.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.61 -12.98 37.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -83.12 -54.02 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 14.5 p30 -72.04 -14.97 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.4 OUTLIER -47.56 -45.74 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 3.2 t0 -60.16 -42.38 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -60.77 -50.85 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.06 70.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.21 -29.23 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.24 -43.85 45.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -71.01 -33.74 70.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -70.68 -39.46 73.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.486 HG12 ' CD ' ' A' ' 8' ' ' LYS . 54.8 mt -67.52 -37.23 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.66 67.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.78 -51.72 60.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 86.2 t80 -62.8 -42.74 99.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -51.71 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.73 88.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.13 -35.12 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.88 91.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.19 -32.6 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -67.55 -38.06 83.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 141' ' ' ARG . 1.5 tt -74.36 -55.17 6.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.614 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.461 ' NE2' ' OD2' ' A' ' 120' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -125.14 127.04 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.636 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -92.46 127.88 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.595 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.3 138.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.51 116.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.48 ' CG2' ' HD3' ' A' ' 105' ' ' ARG . 1.8 m -110.94 111.58 22.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -117.35 159.08 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.95 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.8 p -133.11 129.13 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.95 HD23 ' O ' ' A' ' 9' ' ' VAL . 14.9 mt -132.05 121.35 17.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 60.22 5.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.97 178.31 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -77.09 160.19 76.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.98 -1.28 11.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.13 -43.13 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.68 -24.1 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.896 HD22 ' CD1' ' A' ' 97' ' ' PHE . 5.1 mt -71.35 -40.37 70.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -36.7 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -30.17 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.806 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 2.6 mt -72.69 -37.51 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 79' ' ' ILE . 97.8 t -61.5 -27.19 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -113.5 14.83 22.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 21.1 t0 -52.67 -31.05 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.902 ' CG2' HG21 ' A' ' 39' ' ' THR . 28.1 m -64.56 -11.83 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -145.72 18.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -124.16 -135.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.611 ' CD1' ' OD2' ' A' ' 23' ' ' ASP . 4.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.826 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 3.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.486 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.01 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.826 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.96 -20.91 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.611 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.8 tt -129.39 -178.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -127.65 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.439 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 35' ' ' THR . . . -100.37 154.66 19.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.26 151.34 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 0.763 . . . . 0.0 110.954 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.87 139.68 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.902 HG21 ' CG2' ' A' ' 24' ' ' VAL . 51.0 p -133.86 119.65 19.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER 179.89 -175.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 t-20 61.5 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.52 -150.57 12.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.84 160.28 31.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.05 132.95 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' VAL . 5.4 t70 -129.03 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -39.48 125.22 2.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 38.84 35.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 46' ' ' GLY . 52.6 t -148.19 155.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.454 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -151.36 132.5 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.862 HG23 ' HG3' ' A' ' 71' ' ' ARG . 85.3 m -133.21 119.77 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.457 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.5 m -152.69 172.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -81.62 149.39 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.21 107.91 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.83 101.41 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 151.4 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' C ' ' CG2' ' A' ' 35' ' ' THR . 20.5 mt-30 -125.73 168.77 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -127.43 126.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.66 -81.85 1.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -81.73 43.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -108.7 7.17 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 12.0 t80 62.59 9.01 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.2 tt -142.59 94.62 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.94 93.29 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 57' ' ' VAL . 23.0 mt-10 -145.18 153.82 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -106.99 147.52 29.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.4 m-85 -143.87 155.18 44.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.71 142.25 33.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -149.88 156.5 41.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.58 114.98 20.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.688 ' HA ' HG22 ' A' ' 81' ' ' VAL . 13.2 p -98.27 140.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.862 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.3 123.57 28.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.884 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.3 ptt85 -119.91 148.76 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' CG ' HG22 ' A' ' 48' ' ' VAL . 45.7 t0 -142.96 119.83 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -87.46 -6.21 58.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -23.32 16.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.58 -22.64 12.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 63.0 37.54 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.79 161.76 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.884 HD13 ' HA ' ' A' ' 72' ' ' ARG . 11.6 mm -134.74 137.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -141.84 139.4 32.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 70' ' ' VAL . 57.8 t -135.68 145.27 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -133.46 162.95 30.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.958 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -69.04 134.31 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 85' ' ' TYR . 4.4 tt -123.45 -56.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -127.85 -4.57 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 68' ' ' THR . 1.3 tt -175.52 112.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.1 163.8 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.443 HD22 ' HB ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER -152.67 151.33 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.26 143.6 10.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.529 ' HD1' HG21 ' A' ' 79' ' ' ILE . 36.6 m95 -126.59 107.31 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.78 146.42 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.896 ' CD1' HD22 ' A' ' 17' ' ' LEU . 1.2 m-85 -139.12 118.14 12.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -135.67 136.96 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 98' ' ' MET . 18.1 Cg_endo -75.05 151.75 39.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.5 65.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.0 -134.23 11.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.49 -20.11 44.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.48 164.95 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.44 147.7 43.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.48 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 38.0 ttm-85 -112.02 136.91 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -116.51 127.69 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.74 116.96 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' ' 134' ' ' LEU . 3.3 m-30 -106.16 107.77 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' VAL . 20.8 m -107.8 115.76 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -126.3 126.61 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 110' ' ' ILE . 6.7 pt-20 -136.14 132.64 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 110' ' ' ILE . 4.7 p90 -149.06 166.1 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.34 119.79 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.044 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 11.0 m-85 -98.02 172.63 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -52.22 5.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.3 m -88.19 116.55 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.49 -29.37 49.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.81 -52.74 26.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.86 -26.41 68.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.461 ' OD2' ' NE2' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -56.93 -50.79 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.47 -36.88 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -47.91 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.044 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 6.7 mt -75.16 -42.29 56.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.636 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -64.68 -16.47 62.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.1 -53.43 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.646 HD21 HD23 ' A' ' 123' ' ' LEU . 6.2 p30 -68.76 -29.12 67.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -41.56 -42.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.27 -46.38 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' ASN . 17.4 mmt85 -59.03 -48.69 80.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -57.75 -46.73 84.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.48 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.11 -45.94 38.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.63 ' HB2' ' HZ3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -68.81 -35.33 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.636 HD13 ' CH2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.91 -41.83 90.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 8' ' ' LYS . 55.5 mt -62.77 -45.31 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.05 77.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 15.1 t -61.37 -50.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.806 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 50.8 t80 -61.22 -38.55 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -51.95 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.79 73.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -36.67 84.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.55 94.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.69 65.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -37.92 79.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.41 -52.16 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.523 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 50.4 m80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -113.42 120.39 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.66 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.74 131.88 54.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.82 136.38 37.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.21 109.29 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -113.14 126.38 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.7 162.84 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 10' ' ' LEU . 22.1 t -136.31 125.84 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 138' ' ' PHE . 12.1 mt -129.32 121.93 20.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.96 55.62 3.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.6 m-85 -119.75 -178.84 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -84.5 162.02 52.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.9 -46.58 43.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.15 -29.14 29.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' ' 14' ' ' PRO . 5.9 mt -65.88 -40.62 91.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -37.98 8.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.8 mt-10 -75.31 -28.45 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 ' CH2' ' A' ' 95' ' ' TRP . 2.0 mt -77.64 -42.93 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 79' ' ' ILE . 69.5 t -58.14 -33.31 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.56 8.91 24.12 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' OD1' ' CG ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -43.45 -40.16 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.719 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.0 m -43.44 -25.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -127.56 -45.64 1.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -44.33 -68.81 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CG ' ' OD1' ' A' ' 23' ' ' ASP . 3.1 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' HB ' HG22 ' A' ' 34' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.3 Cg_endo -75.03 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -55.54 -18.28 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -125.79 178.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -130.27 -91.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 35' ' ' THR . . . -93.85 153.07 21.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.1 pmm? -159.92 151.12 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.0 135.2 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.719 HG21 ' CG2' ' A' ' 24' ' ' VAL . 41.0 p -131.43 117.99 19.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -179.36 178.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.46 100.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.07 -144.03 7.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 159.06 43.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.5 p -131.14 123.35 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.63 133.2 36.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.32 -133.12 8.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.08 33.54 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 ' OD1' ' A' ' 73' ' ' ASP . 29.2 t -131.9 147.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.572 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.39 127.63 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.803 HG23 ' HG3' ' A' ' 71' ' ' ARG . 63.8 m -127.46 126.48 42.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.8 m -151.75 171.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -75.5 148.09 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.16 106.83 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.98 100.44 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.76 157.17 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.491 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.2 mt-30 -127.95 179.83 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' C ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -135.12 122.9 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.74 -52.32 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.7 26.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 m -107.08 6.84 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 25.2 t80 59.26 14.47 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.45 106.69 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 91.35 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 12.6 mt-10 -145.79 158.5 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.9 150.91 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 6.9 m-85 -153.48 157.76 40.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.84 143.46 50.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -144.44 153.61 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.382 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -80.07 110.47 15.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.936 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -88.13 135.17 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.803 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtt180 -127.11 110.22 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.2 ptt180 -106.84 151.84 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.496 ' OD1' HG22 ' A' ' 48' ' ' VAL . 6.6 t0 -145.43 118.84 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 3.9 ptpt -91.33 -9.01 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -97.63 -24.16 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.16 -24.75 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 64.13 37.14 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.69 164.24 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.964 HD11 HG13 ' A' ' 21' ' ' VAL . 14.5 mm -130.72 139.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -146.37 139.43 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.936 HG22 ' HA ' ' A' ' 70' ' ' VAL . 24.5 t -138.08 138.86 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -134.92 172.72 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 83' ' ' LEU . 1.1 tt -58.27 137.96 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.914 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.4 tt -124.68 -59.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.914 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.2 -32.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.498 HD23 HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -152.34 119.83 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -144.49 129.24 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -135.39 108.95 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.25 149.48 17.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.985 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -142.72 129.4 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.54 154.57 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 17' ' ' LEU . 7.5 p90 -148.52 141.6 24.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.42 166.04 16.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.79 32.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -158.29 89.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.26 -133.51 12.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.51 -21.06 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.82 167.87 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.62 147.81 26.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.462 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 6.4 tmm_? -111.48 127.64 55.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.985 HG11 ' CH2' ' A' ' 95' ' ' TRP . 58.1 t -121.02 141.63 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 6.8 mt-10 -127.24 123.37 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.7 m -97.85 120.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.741 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -109.32 116.87 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.16 114.87 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -149.45 154.35 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -102.98 136.33 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.107 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.4 OUTLIER -114.05 166.27 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -54.33 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -86.59 128.78 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.43 -38.94 74.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.73 -46.89 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.09 -25.26 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.523 ' CG ' ' CE1' ' A' ' 2' ' ' HIS . 1.2 t0 -56.95 -51.18 70.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -72.46 -39.58 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -46.35 90.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.107 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -74.62 -54.03 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -57.0 -17.34 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.25 -52.95 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.557 HD21 HD23 ' A' ' 123' ' ' LEU . 3.1 p30 -68.1 -22.48 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.1 -39.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -61.62 -47.6 84.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 126' ' ' ASN . 16.4 mmt180 -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.58 -43.08 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 135' ' ' ILE . . . -64.27 -30.12 71.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.87 88.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 3.2 ptpt -70.86 -46.13 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 0.807 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.82 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -58.2 -43.51 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 131' ' ' ALA . 27.8 mt -60.49 -45.1 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.23 70.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.36 -51.47 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.784 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.9 t80 -63.4 -41.46 98.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.37 -51.28 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.28 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -35.93 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -65.3 -43.27 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -32.5 63.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -69.31 -33.72 73.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -57.39 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.63 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.605 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 8.8 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 9.1 tmm_? -129.38 144.09 51.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.502 ' ND1' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -132.17 128.22 37.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.602 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.99 148.13 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.98 103.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -108.65 133.5 52.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.659 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -139.59 162.15 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.611 ' C ' HD23 ' A' ' 10' ' ' LEU . 47.7 t -137.08 114.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.659 HD11 ' HE2' ' A' ' 8' ' ' LYS . 10.5 mt -116.18 119.75 36.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -74.97 58.22 4.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -139.17 -174.01 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -85.24 161.22 52.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.0 3.13 5.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.94 -47.77 76.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -54.36 -26.87 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -68.28 -40.02 81.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.71 -37.0 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.19 -28.17 42.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.705 ' CD1' ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -76.17 -34.14 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 79' ' ' ILE . 87.5 t -60.34 -38.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -102.08 22.63 37.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.6 t70 -65.1 -9.95 26.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.768 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.8 m -78.74 -17.8 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.19 18.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.81 -116.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.059 HG12 ' CH2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.03 -39.92 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 1.059 ' CH2' HG12 ' A' ' 31' ' ' VAL . 3.5 p90 -51.25 -23.1 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.588 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -119.62 171.66 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -121.08 -94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.575 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -87.96 150.31 22.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 36.2 tpp -159.21 149.06 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -168.0 135.71 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.768 HG21 ' HB ' ' A' ' 24' ' ' VAL . 38.6 p -135.59 122.26 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -179.6 177.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 108.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.6 92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.08 -140.19 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.16 158.14 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.0 p -129.88 124.3 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.54 133.03 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.44 -132.14 5.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.983 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.5 35.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CG ' ' A' ' 73' ' ' ASP . 29.1 t -134.98 148.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.404 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.47 135.25 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.411 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 6.5 m -132.33 124.77 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.722 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -151.73 172.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' THR . 1.3 m-20 -71.93 146.04 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -128.41 108.63 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.68 100.45 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -108.41 155.34 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.7 mt-30 -128.25 175.47 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 60' ' ' SER . 4.0 m -136.18 126.28 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.01 -81.09 1.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.74 48.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 36.4 m -109.91 5.14 22.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 60' ' ' SER . 53.7 t80 63.74 8.12 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.25 94.26 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 93.21 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -145.07 146.52 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -106.58 150.84 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.92 146.05 33.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.34 140.96 51.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.898 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.15 152.45 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.682 ' HG3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -75.82 109.2 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 81' ' ' VAL . 3.9 p -85.21 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -129.75 121.14 26.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -120.02 148.21 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.8 t0 -142.13 116.93 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.983 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -83.12 -8.58 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -96.62 -23.41 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -102.31 -22.49 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 59.68 35.77 22.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.403 ' CB ' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -132.44 167.39 20.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 21' ' ' VAL . 1.3 tp -125.3 146.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -152.87 138.26 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 70' ' ' VAL . 70.1 t -138.76 146.82 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 18.8 m -133.26 166.34 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.9 mt -65.09 134.83 54.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 85' ' ' TYR . 3.5 tt -123.05 -56.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.715 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -132.01 -4.73 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.553 HD23 ' C ' ' A' ' 91' ' ' LEU . 4.9 tt -176.71 128.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -147.31 154.44 40.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 81' ' ' VAL . 15.7 m120 -144.19 119.02 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.19 156.4 26.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -150.49 149.17 29.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 78' ' ' SER . 1.7 mtt180 -138.2 156.0 48.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 17' ' ' LEU . 5.1 m-30 -90.06 155.48 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -154.21 94.97 2.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -74.99 150.88 38.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -153.47 70.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 -137.78 13.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.29 -28.51 61.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.25 165.02 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -126.11 147.12 49.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . 0.7 OUTLIER -116.01 130.04 56.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 57.6 t -109.02 141.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.9 124.21 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -124.05 111.35 15.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.63 125.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.441 ' C ' HD12 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -114.72 130.86 68.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 42.6 mt-10 -134.66 143.17 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.474 ' HB2' HD12 ' A' ' 91' ' ' LEU . 7.7 p90 -169.05 160.15 9.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.49 121.65 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.948 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -101.09 166.83 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.67 -54.92 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -76.31 128.21 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.35 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.7 -51.47 62.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 123' ' ' LEU . 88.9 mt -66.15 -23.59 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.605 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -58.82 -49.76 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.9 -37.05 41.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.948 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.1 mt -75.09 -46.36 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.52 -12.01 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -84.14 -53.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.61 ' C ' ' ND2' ' A' ' 126' ' ' ASN . 0.1 OUTLIER -70.86 -17.12 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.502 ' CG1' ' ND1' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -52.44 -44.3 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . 9.3 t0 -63.94 -34.16 77.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -68.54 -46.71 68.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -60.89 -51.24 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.487 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -61.77 -37.95 86.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.33 97.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.67 -37.48 87.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.635 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -62.45 -37.36 85.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 131' ' ' ALA . 10.4 mm -69.4 -39.84 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.27 76.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.43 -51.42 51.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 1.6 t80 -57.19 -43.58 82.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.89 -51.61 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.1 75.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -37.09 85.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.58 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.5 -32.46 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -69.68 -37.27 76.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -73.34 -54.75 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.628 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 112' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 8.0 ttp180 -129.59 117.5 20.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -94.02 131.84 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.624 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 t -108.25 145.91 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.91 118.14 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -124.17 120.07 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 165.13 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 p -133.71 121.04 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 9' ' ' VAL . 20.2 mt -120.5 116.69 31.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 61.63 5.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.803 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.71 175.33 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 p -62.51 158.85 46.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -17.75 19.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.7 -39.33 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -50.46 -24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 97' ' ' PHE . 10.2 mt -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -39.44 8.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.65 -28.99 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mt -73.27 -41.47 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 79' ' ' ILE . 48.2 t -60.57 -40.06 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -102.62 22.02 38.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.142 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.34 -13.69 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 39' ' ' THR . 10.7 m -82.84 -17.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 5.5 t70 -126.34 0.71 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.734 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -116.52 -87.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.734 ' O ' ' O ' ' A' ' 26' ' ' ALA . 35.0 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.878 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 5.1 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.04 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.878 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.959 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 35' ' ' THR . 1.5 tt -129.81 -175.33 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.61 HG21 ' C ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -135.47 -90.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.586 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -97.15 149.74 19.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 41.3 tpp -150.76 150.13 30.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -162.38 136.65 6.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 24' ' ' VAL . 30.5 p -135.72 115.71 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.68 -177.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.6 m-20 68.24 86.61 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -139.81 3.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 158.24 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.9 p -129.27 121.58 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -131.04 131.11 44.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.39 -131.09 9.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.968 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -94.94 36.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 73' ' ' ASP . 23.7 t -136.22 148.59 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -145.41 128.47 16.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 24.1 m -126.15 125.24 42.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.0 m -152.06 172.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 137.22 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -115.27 108.56 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -95.17 101.85 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.65 149.12 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 35' ' ' THR . 4.9 mt-30 -121.95 179.07 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.61 ' C ' HG21 ' A' ' 35' ' ' THR . 3.6 m -137.69 127.55 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.75 -73.22 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.23 41.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 12.5 m -108.62 6.5 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 37.1 t80 60.93 10.34 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -142.81 94.9 2.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 93.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.31 161.09 40.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 9.6 pttp -124.98 148.52 48.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -145.52 164.47 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.57 142.97 33.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.863 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -147.31 152.64 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.372 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.28 108.18 7.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.4 p -92.77 129.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -116.14 126.22 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.509 ' CB ' HD11 ' A' ' 79' ' ' ILE . 2.3 ptm180 -123.17 149.85 44.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.469 ' CG ' HG22 ' A' ' 48' ' ' VAL . 44.6 t0 -146.85 121.01 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.968 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -6.88 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.26 -23.69 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.91 -23.72 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 64.35 39.84 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.98 158.45 42.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -134.87 141.78 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.57 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 68' ' ' THR . 21.4 t -135.33 134.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.4 m -129.85 164.81 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.886 HD11 ' H ' ' A' ' 91' ' ' LEU . 2.3 mp -60.44 143.05 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.36 -59.85 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.587 ' CB ' HD13 ' A' ' 84' ' ' LEU . 83.7 t80 -133.89 -32.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.886 ' H ' HD11 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 150.12 51.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.46 158.31 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.54 147.31 10.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.701 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 79.9 m95 -118.37 110.1 17.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -104.35 146.24 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CE2' HG22 ' A' ' 21' ' ' VAL . 41.4 m-85 -135.5 124.88 24.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.21 116.42 9.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.01 153.44 41.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -153.22 70.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.9 -143.61 16.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.39 -28.73 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.74 167.66 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -124.4 147.43 48.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -110.12 129.68 55.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 97' ' ' PHE . 59.3 t -119.61 137.77 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.46 123.57 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.701 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 7.0 t80 -111.56 118.42 35.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.86 125.18 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -118.86 120.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -136.63 122.33 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HE1' ' HE2' ' A' ' 2' ' ' HIS . 4.7 p90 -151.85 163.3 39.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.76 121.11 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.046 ' CE1' HD13 ' A' ' 123' ' ' LEU . 10.6 m-85 -96.47 172.7 7.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -47.28 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -92.16 118.31 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.22 -28.3 62.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.03 -51.52 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 123' ' ' LEU . 98.5 mt -65.82 -25.01 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.56 -51.66 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.5 -36.63 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.64 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.046 HD13 ' CE1' ' A' ' 114' ' ' PHE . 3.3 mt -74.8 -44.23 50.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -67.24 -12.36 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.51 -53.73 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.9 p30 -71.82 -20.76 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -43.1 -43.93 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 2.6 t0 -62.21 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 19.1 mmt180 -61.63 -52.54 63.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.95 72.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.94 -33.07 74.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.81 -44.77 88.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.496 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 1.1 pttt -68.89 -39.3 79.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.97 -38.93 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.74 76.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 19.1 t -64.89 -51.23 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.563 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t80 -63.02 -42.1 99.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -48.41 80.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.55 -42.23 82.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -35.22 80.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.73 94.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.82 -32.94 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.79 -34.36 75.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.56 -55.88 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 110' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -128.42 118.01 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.658 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -104.32 128.31 52.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.56 143.85 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.14 139.39 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.69 132.13 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.785 ' HD3' HG23 ' A' ' 135' ' ' ILE . 22.7 ttpt -136.68 152.09 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 10' ' ' LEU . 8.1 p -138.49 122.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 9' ' ' VAL . 37.3 mt -122.67 119.65 28.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.01 59.91 5.32 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.2 173.88 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -63.81 160.52 44.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.766 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.18 -45.12 77.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.5 -29.3 24.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.8 mt -66.72 -40.9 88.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.64 -36.32 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.5 -30.54 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -72.39 -39.58 67.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.734 HG22 ' CE2' ' A' ' 97' ' ' PHE . 57.5 t -60.28 -30.42 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -107.33 24.99 23.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.49 -10.27 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' ' 39' ' ' THR . 23.2 m -78.21 -16.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.04 21.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.55 -111.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 34.7 p90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.6 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.972 ' CZ2' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.05 -20.25 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 108.03 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 35' ' ' THR . 1.9 tt -131.07 -178.38 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -123.69 -90.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.556 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -104.01 150.05 17.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 44.6 tpp -156.58 150.99 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.54 134.82 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.773 HG21 ' HB ' ' A' ' 24' ' ' VAL . 24.4 p -135.25 123.75 23.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.09 179.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.023 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 0.8 OUTLIER 63.78 93.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.25 -148.59 6.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.77 150.95 52.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.36 121.86 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.41 128.28 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.8 -126.97 14.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.866 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -96.7 37.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.7 t -136.6 147.79 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -146.65 116.59 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.481 ' CG2' ' CD ' ' A' ' 69' ' ' ARG . 9.3 m -115.79 134.77 54.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.73 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.94 138.94 44.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -119.02 106.73 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -99.0 101.45 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.66 153.06 23.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.507 ' C ' ' CG2' ' A' ' 35' ' ' THR . 18.9 mt-30 -127.33 172.41 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.55 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -132.86 125.03 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.6 -54.36 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -7.87 44.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 46.3 m -84.92 5.78 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 14.1 t80 59.53 12.41 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -125.88 96.04 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 92.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 14.1 mt-10 -145.47 157.69 43.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -125.95 147.06 49.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 64' ' ' GLU . 7.7 m-85 -151.54 152.5 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -125.22 142.9 51.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.8 p -145.15 160.12 41.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' CD ' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.38 111.43 17.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.646 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 3.7 p -98.54 120.82 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' O ' HD13 ' A' ' 79' ' ' ILE . 5.3 mtt180 -106.59 128.7 54.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -115.52 150.48 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.566 ' CG ' HG22 ' A' ' 48' ' ' VAL . 2.0 t0 -146.62 131.47 18.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.866 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -102.84 -12.58 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -23.8 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.0 -21.52 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.15 159.88 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.785 HD11 ' HD2' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -129.17 144.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -138.16 141.41 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 70' ' ' VAL . 53.1 t -137.36 122.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.3 m -117.92 152.97 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -68.63 134.87 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.71 -60.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.675 ' HB2' HD13 ' A' ' 84' ' ' LEU . 9.9 t80 -134.36 -4.8 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 66' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.18 117.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -141.91 141.65 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -133.52 132.11 40.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -134.15 138.47 10.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 108' ' ' PHE . 23.2 m95 -128.59 108.66 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -111.06 145.97 37.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 17' ' ' LEU . 16.8 m-85 -142.81 98.87 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.34 129.77 25.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.05 36.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -145.82 63.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.41 -132.48 11.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.69 -20.64 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.69 158.38 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.564 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.94 148.46 33.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -108.21 133.32 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 97' ' ' PHE . 90.9 t -121.09 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -108.05 118.22 36.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 1.5 m-30 -103.93 106.78 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' CA ' ' A' ' 94' ' ' GLY . 1.1 m -106.28 118.95 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.733 ' C ' HD12 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -119.34 133.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.93 126.99 33.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.414 ' HB2' ' NE2' ' A' ' 2' ' ' HIS . 1.5 m-85 -134.11 171.19 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -141.44 121.54 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 41.1 m-85 -126.9 160.94 29.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -42.83 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -83.82 109.97 17.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.43 -25.33 24.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.12 -56.58 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.9 -24.29 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.0 OUTLIER -61.82 -51.57 67.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.51 -34.28 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -49.86 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.792 HD23 HD21 ' A' ' 126' ' ' ASN . 9.2 mt -76.11 -47.19 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.658 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -61.98 -15.37 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.87 -53.68 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.792 HD21 HD23 ' A' ' 123' ' ' LEU . 12.0 p30 -67.66 -25.22 65.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -46.76 -41.99 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.86 -43.11 97.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -61.07 -46.86 88.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.23 -29.94 70.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.33 -45.3 48.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.28 -35.0 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.87 -41.98 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.785 HG23 ' HD3' ' A' ' 8' ' ' LYS . 19.5 mt -63.3 -41.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.59 78.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.8 t -63.37 -52.0 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.243 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 84.3 t80 -58.62 -38.1 77.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -64.0 -51.82 62.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.08 77.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 1.091 HH21 HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.33 93.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -32.64 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -67.21 -36.6 82.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.091 HD12 HH21 ' A' ' 141' ' ' ARG . 0.6 OUTLIER -77.39 -54.35 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.424 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -122.89 119.29 30.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -96.33 131.8 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -110.64 145.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -145.88 131.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -126.07 120.69 30.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -125.47 160.02 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.897 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.0 p -136.23 127.69 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.897 HD23 ' O ' ' A' ' 9' ' ' VAL . 11.0 mt -127.49 114.38 21.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.95 61.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CD2' ' HB1' ' A' ' 142' ' ' ALA . 15.2 m-85 -134.42 177.24 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -65.65 160.71 58.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.566 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -11.03 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.09 -45.09 71.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mm-40 -50.71 -23.75 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.4 mt -64.78 -48.17 75.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -34.83 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.27 -29.13 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.9 mt -75.7 -46.77 29.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.984 HG13 ' CG1' ' A' ' 79' ' ' ILE . 88.7 t -61.28 -37.94 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.55 23.1 33.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.631 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 24.4 t0 -65.1 -11.55 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.829 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.7 m -85.06 -11.22 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.78 21.12 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -119.96 -102.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 12.1 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 31' ' ' VAL . 20.0 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.566 ' HB2' ' CD2' ' A' ' 59' ' ' PHE . 18.4 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.564 1.823 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 1.1 p-90 -44.97 -26.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.543 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -119.44 167.45 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -126.05 -91.08 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.3 154.42 20.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -159.33 151.49 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.05 136.03 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.829 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.3 p -135.49 121.15 19.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.3 -175.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 107.972 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 m-20 61.17 95.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.49 -140.05 5.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 157.66 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.583 HG23 ' OG ' ' A' ' 49' ' ' SER . 7.3 p -129.33 122.72 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -133.8 129.76 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.94 -132.72 17.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.816 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.63 28.21 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.534 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.0 t -127.06 148.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.583 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -143.44 130.12 20.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 71' ' ' ARG . 88.8 m -127.47 122.9 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -152.23 172.76 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.512 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.98 143.81 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.705 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -126.48 108.12 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -97.95 101.05 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.0 154.66 19.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.456 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.6 mt-30 -125.51 178.94 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.549 ' C ' HG21 ' A' ' 35' ' ' THR . 5.5 m -138.47 122.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.13 -42.94 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -85.26 14.93 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 48.1 m -101.11 6.28 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 59.3 t80 58.6 13.98 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -136.66 125.58 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 93.15 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 12.6 mt-10 -144.58 140.94 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 147.11 38.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.644 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -146.9 152.02 37.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 142.42 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.663 HG21 HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.2 154.63 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -76.84 109.15 10.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.705 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 p -90.3 133.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 50' ' ' THR . 12.8 mtp85 -125.86 114.32 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -112.37 150.99 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.534 ' CG ' HG22 ' A' ' 48' ' ' VAL . 26.8 t0 -147.21 118.56 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.816 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -89.54 -7.19 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -96.32 -24.35 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.57 -23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.35 36.84 8.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.51 159.35 38.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.984 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.47 143.85 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.61 141.23 26.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 70' ' ' VAL . 59.8 t -132.22 137.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -135.5 173.87 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.59 137.07 58.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.89 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.8 tt -123.99 -59.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.89 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -136.26 -33.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -149.95 113.52 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -140.75 143.08 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 81' ' ' VAL . 1.1 m-20 -134.26 110.78 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -113.33 135.81 12.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 25.3 m95 -129.66 106.58 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -107.21 153.71 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.735 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.7 m-85 -145.13 103.83 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.51 128.83 25.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.05 151.08 38.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -145.44 64.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.91 -132.51 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -19.45 42.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -108.0 167.69 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -118.53 147.74 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.65 135.36 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.28 129.43 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.8 118.19 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.4 m-85 -103.03 106.93 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.479 HG23 ' CA ' ' A' ' 94' ' ' GLY . 2.0 m -108.01 114.32 46.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -111.5 129.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -136.0 118.46 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 110' ' ' ILE . 7.1 p90 -144.43 173.37 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.99 122.98 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.8 m-85 -100.98 169.09 9.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -53.85 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 m -84.57 125.84 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.39 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.11 -25.12 64.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.52 -51.56 69.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.77 -38.25 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -48.04 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -75.05 -43.73 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.589 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -65.68 -14.15 60.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.85 -53.99 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 11.0 p30 -70.21 -24.73 63.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.537 HG11 ' CG ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.38 -40.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.8 -48.74 77.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -56.25 -48.03 77.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.94 76.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.502 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.0 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.66 79.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -72.51 -43.21 63.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.838 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -60.78 -42.81 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 134' ' ' LEU . 26.3 mt -62.83 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.7 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.2 t -63.0 -51.08 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.672 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 16.7 t80 -61.49 -41.39 97.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -64.62 -42.01 95.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.24 89.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.31 85.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.49 ' HB1' ' CD2' ' A' ' 12' ' ' TYR . . . -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.7 62.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.99 -35.26 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.52 -55.55 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.462 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 5.4 m-70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 120' ' ' ASP . 17.8 m80 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 21.8 ttp-105 -135.72 145.23 46.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.629 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -136.96 137.35 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.628 HG13 HG12 ' A' ' 109' ' ' VAL . 3.5 t -111.9 143.73 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.7 129.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -124.16 113.67 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.77 157.99 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 10' ' ' LEU . 50.6 t -131.74 128.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 9' ' ' VAL . 53.8 mt -132.32 114.65 14.79 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.01 60.25 5.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 18.0 m-85 -121.99 162.24 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -53.7 161.72 1.55 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.99 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -74.83 -47.18 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -52.81 -24.57 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.6 mt -67.99 -43.59 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.98 -35.86 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.58 -32.95 58.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 3.3 mt -72.57 -44.85 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.82 HG22 ' CD1' ' A' ' 97' ' ' PHE . 58.3 t -59.06 -41.73 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.03 22.29 33.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.629 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 22.5 t0 -55.66 -31.54 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 m -49.26 -26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ALA . 25.1 t0 -122.09 -48.39 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -36.35 -87.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 18.4 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.916 HG12 ' CZ2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.4 Cg_endo -74.92 -41.28 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.916 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -47.86 -25.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -123.06 177.4 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -125.31 -93.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.79 151.3 19.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 2.5 tpt -157.51 144.19 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -156.75 132.59 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 p -133.79 117.31 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.406 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.91 178.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 66.01 98.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.05 -144.03 6.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -139.44 158.62 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.22 121.55 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -132.49 133.22 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.31 -129.43 8.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.944 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -97.95 37.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 73' ' ' ASP . 24.4 t -137.93 148.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.2 p -146.65 125.45 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 21.2 m -122.95 133.68 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.43 172.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -77.72 135.96 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -116.29 107.42 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 102.43 13.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.45 153.17 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 9.7 mt-30 -125.51 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.9 m -136.96 123.35 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.76 169.94 17.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.9 16.05 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.711 ' C ' ' CG ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -107.07 5.51 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.711 ' CG ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 64.41 6.24 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -134.45 107.72 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 100.02 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.651 ' HG3' HD11 ' A' ' 62' ' ' LEU . 2.7 mm-40 -139.14 142.76 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.61 156.72 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -159.21 153.02 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -126.96 143.72 51.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.899 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -145.53 152.85 40.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 111.87 12.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.673 HG23 ' CG2' ' A' ' 81' ' ' VAL . 14.5 p -101.12 128.2 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' ASP . 6.9 ptm180 -118.49 134.44 55.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -124.88 148.05 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' A' ' 48' ' ' VAL . 45.9 t0 -139.71 122.29 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.944 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -88.3 -11.28 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -94.75 -24.13 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -105.24 -25.98 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.61 37.49 7.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.67 164.46 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 72' ' ' ARG . 6.9 mm -139.82 137.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 5.8 t0 -136.54 148.3 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.673 ' CG2' HG23 ' A' ' 70' ' ' VAL . 42.8 t -142.13 131.65 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.4 m -135.28 166.63 22.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.899 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.8 mp -57.07 140.84 47.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -123.21 -56.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.97 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.96 -33.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' H ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -155.22 132.18 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.92 153.22 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -140.05 140.89 36.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 133.51 5.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.568 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 26.6 m95 -130.08 115.07 16.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -113.2 140.59 47.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -142.04 120.64 12.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -147.09 131.96 8.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 148.23 35.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.13 175.15 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.42 -129.61 1.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -103.39 -19.98 14.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.62 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . . . -129.15 165.19 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -96.57 148.46 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -114.54 135.22 54.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -117.32 123.9 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -98.71 119.28 37.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -112.26 107.96 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.628 HG12 HG13 ' A' ' 5' ' ' VAL . 27.5 m -113.42 114.33 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.14 135.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -148.62 168.32 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.04 119.57 19.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.028 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 10.0 m-85 -99.01 174.22 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -53.52 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.0 125.17 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.22 -28.27 69.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.57 -51.6 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 119' ' ' LEU . 14.2 mt -65.23 -25.61 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.589 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . 1.3 t0 -58.34 -51.21 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.06 -37.84 57.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -47.09 87.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.028 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 8.0 mt -74.24 -48.48 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.69 -12.97 38.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -81.36 -54.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.4 p30 -69.16 -21.24 64.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -42.76 -44.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 12.2 t70 -60.82 -46.66 89.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ASN . 7.3 mmt180 -56.54 -48.29 77.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.28 -41.89 76.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.19 -29.77 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.12 84.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.6 ptpt -72.81 -47.58 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.836 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.6 -43.48 80.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.721 ' N ' HD12 ' A' ' 134' ' ' LEU . 21.7 mt -61.64 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.07 70.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.68 -51.36 67.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 76.7 t80 -64.59 -40.84 96.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.438 ' HG3' HD22 ' A' ' 10' ' ' LEU . 5.0 tt0 -60.54 -50.2 74.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.95 84.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.537 ' NH1' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.55 -36.04 82.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.85 95.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -32.57 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.54 -32.67 71.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.537 HD12 ' NH1' ' A' ' 141' ' ' ARG . 0.5 OUTLIER -80.62 -53.95 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.595 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 21.7 m-70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -131.34 152.51 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.716 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.68 134.28 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 138.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.525 ' CG1' HD11 ' A' ' 135' ' ' ILE . 2.1 t -137.06 110.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -123.86 127.26 47.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CE ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -133.58 172.01 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HD23 ' A' ' 10' ' ' LEU . 72.2 t -135.14 119.54 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 9' ' ' VAL . 13.7 mt -114.91 113.86 44.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 77.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.821 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -173.34 -174.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 146' ' ' HIS . 36.9 p -73.74 145.21 84.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.822 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.02 2.87 6.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -51.59 -44.69 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 67.0 mm-40 -56.15 -31.49 63.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.822 HD12 ' CB ' ' A' ' 14' ' ' PRO . 9.1 mt -64.76 -37.7 88.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -47.69 -37.64 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.23 -29.27 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.7 mt -75.32 -40.54 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.908 HG13 ' CG1' ' A' ' 79' ' ' ILE . 84.7 t -61.88 -26.92 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -111.89 5.77 27.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -46.58 -44.43 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.854 HG23 HG21 ' A' ' 39' ' ' THR . 26.0 m -45.62 -24.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 23' ' ' ASP . 25.3 t0 -119.77 -65.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -37.91 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CD2' ' CG ' ' A' ' 23' ' ' ASP . 8.5 m-30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CH2' ' A' ' 33' ' ' TRP . 16.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.761 ' CH2' HG13 ' A' ' 31' ' ' VAL . 3.4 p90 -48.27 -24.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -116.26 -174.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.944 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -135.04 -86.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.944 ' H ' HG23 ' A' ' 35' ' ' THR . . . -90.83 151.8 21.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 56.0 tpp -152.91 148.73 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 134.63 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.854 HG21 HG23 ' A' ' 24' ' ' VAL . 38.6 p -135.53 118.56 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.67 179.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m-20 67.34 94.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 173.82 -134.77 2.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.39 161.9 40.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.2 p -130.27 125.29 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -134.33 134.85 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.77 -128.08 6.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.931 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -100.13 39.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 73' ' ' ASP . 19.7 t -139.2 149.52 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.647 ' OG ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -141.7 129.12 21.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.819 HG23 ' HG3' ' A' ' 71' ' ' ARG . 95.8 m -125.75 123.33 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.46 172.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 142.29 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -118.23 108.22 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -108.69 108.68 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.9 167.87 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.496 ' HB2' HG23 ' A' ' 35' ' ' THR . 39.9 mt-30 -126.95 176.5 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.02 122.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.89 -84.98 1.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.12 48.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.761 ' O ' HD21 ' A' ' 123' ' ' LEU . 1.1 p -108.71 3.59 22.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' SER . 13.7 t80 74.26 -2.42 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.34 103.45 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 93.05 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -145.26 163.38 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 149.82 33.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 44.0 m-85 -143.26 158.46 43.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.13 142.67 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.902 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -149.77 175.28 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.9 ttp180 -96.82 108.67 21.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -92.64 136.82 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.819 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.8 mtt180 -128.59 118.73 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -116.49 150.27 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.576 ' CG ' HG22 ' A' ' 48' ' ' VAL . 39.7 t0 -147.09 128.98 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.931 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.99 -11.67 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.37 -26.11 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.77 -22.29 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 60.78 36.39 19.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.11 159.65 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.908 ' CG1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -133.9 137.45 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -143.97 140.99 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.6 t -135.79 145.46 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.5 m -133.11 157.1 46.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.74 133.66 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.913 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 tt -123.28 -58.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.72 -5.12 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -176.5 138.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.8 145.81 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.09 155.07 41.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.68 151.39 8.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.809 ' CZ2' ' CZ ' ' A' ' 108' ' ' PHE . 5.2 m95 -124.69 152.91 43.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -136.65 144.92 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.625 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.4 m-85 -139.23 112.83 8.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.7 135.22 27.18 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.69 36.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -148.08 63.71 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.29 -135.07 12.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.26 -27.6 60.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -103.83 161.7 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.67 147.32 40.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 9.9 tmm_? -109.62 130.9 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 17' ' ' LEU . 59.5 t -120.62 138.49 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 19.2 mt-10 -129.86 130.82 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.809 ' CZ ' ' CZ2' ' A' ' 95' ' ' TRP . 9.6 t80 -125.47 123.29 38.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -107.3 133.11 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 4' ' ' HIS . 1.5 pp -124.19 126.86 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -136.46 138.77 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.743 ' HB3' HD12 ' A' ' 91' ' ' LEU . 4.1 p90 -168.78 160.87 10.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.11 128.37 56.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.8 OUTLIER -106.73 164.51 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.509 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.14 -53.97 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.541 ' HB2' HD12 ' A' ' 119' ' ' LEU . 1.5 m -79.01 129.28 34.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -50.25 63.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 116' ' ' SER . 28.2 mt -66.62 -26.04 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.595 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -56.93 -49.17 76.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.3 -38.3 42.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -72.77 -47.14 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.92 -12.58 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.91 -53.83 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.472 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 11.5 p30 -70.66 -21.04 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -45.64 -44.87 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 31.8 t70 -62.76 -40.96 98.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -61.02 -46.66 89.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.85 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.44 -43.97 98.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -67.34 -36.53 81.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.628 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.32 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.525 HD11 ' CG1' ' A' ' 6' ' ' VAL . 56.0 mt -75.15 -43.39 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.59 -49.78 17.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 142' ' ' ALA . 27.9 t80 -58.37 -33.66 69.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.99 -51.54 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.66 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -34.72 77.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 138' ' ' PHE . . . -65.4 -42.14 92.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.37 -32.64 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.08 -36.53 77.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.06 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' HIS . . . . . 0.447 ' NE2' ' OG1' ' A' ' 13' ' ' THR . 9.1 m-70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.561 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 23.8 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -135.78 135.27 39.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -130.78 141.86 50.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -115.52 147.78 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 135' ' ' ILE . 1.1 t -140.66 116.29 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -122.41 122.36 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 168.96 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.766 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.1 p -136.3 128.76 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.3 mt -131.92 125.78 20.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.5 Cg_endo -74.96 61.77 5.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -127.88 -179.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -81.84 161.39 61.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.01 0.94 8.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 52.8 t0 -71.74 -46.08 59.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -50.63 -22.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.4 mt -66.72 -48.1 70.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -45.21 -33.07 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mt-10 -77.48 -37.02 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 20' ' ' LEU . 1.5 mt -70.05 -45.14 67.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 79' ' ' ILE . 61.7 t -62.86 -32.06 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.2 3.53 56.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 11.9 t0 -53.16 -35.7 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.714 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.5 m -63.49 -13.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.34 9.67 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -131.69 -131.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG12 ' HZ3' ' A' ' 33' ' ' TRP . 23.8 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.4 Cg_endo -75.01 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.84 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -45.2 -29.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 108.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.418 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.4 tt -116.43 167.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -121.23 -91.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.581 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.9 155.49 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.6 151.68 22.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 130.0 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.714 HG21 ' CG2' ' A' ' 24' ' ' VAL . 46.9 p -130.63 118.9 21.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.11 179.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.14 90.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -177.3 -138.16 2.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -143.94 155.16 43.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.0 p -130.93 120.45 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -132.38 134.03 44.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.41 -134.13 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.802 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.14 35.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.5 t -136.19 147.26 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.51 144.07 32.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' HG3' ' A' ' 71' ' ' ARG . 53.4 m -142.41 124.3 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -152.1 172.56 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 143.05 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -123.0 108.08 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.15 103.44 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.41 154.65 23.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.521 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.6 mt-30 -122.38 -179.96 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -138.08 125.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -118.37 -39.76 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -93.82 20.01 8.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.4 t -104.58 5.48 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 35.6 t80 59.65 12.09 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tp -136.05 100.57 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.25 92.25 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -145.01 162.37 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.29 159.9 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 2.8 m-85 -152.51 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.86 144.04 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 83' ' ' LEU . 4.1 p -149.84 178.52 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -103.46 106.08 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.6 p -87.12 140.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -132.18 120.21 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 13.0 mtt180 -115.53 145.9 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CG ' HG22 ' A' ' 48' ' ' VAL . 35.7 t0 -143.83 119.39 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.802 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.15 -6.82 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.3 -24.26 15.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.6 -21.97 13.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.75 37.13 12.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.8 157.95 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.899 ' CD1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -130.92 135.44 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -139.35 141.53 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASN . 13.4 t -139.09 124.57 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.8 m -109.22 150.53 27.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.867 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -69.23 142.8 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.785 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.7 tt -119.2 -55.68 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.683 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.49 -37.16 0.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 68' ' ' THR . 6.8 tt -171.05 153.95 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -160.18 153.95 22.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.1 m-20 -159.65 143.22 14.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.14 148.79 14.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.749 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 54.6 m95 -123.9 146.11 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 mmm180 -133.26 148.54 51.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.683 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 1.3 m-85 -137.14 100.64 4.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.19 31.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.0 152.13 40.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -151.05 74.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.33 -134.26 11.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.86 -24.47 41.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.771 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -102.51 166.62 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -119.33 147.99 43.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -110.63 132.75 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.69 138.6 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.41 129.83 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.749 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.1 t80 -123.83 120.49 32.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 109' ' ' VAL . 14.0 m -107.22 116.18 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -105.74 138.08 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 15.5 mt-10 -136.14 143.52 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -168.84 156.58 7.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.64 125.07 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.132 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.1 m-85 -101.23 167.87 9.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -91.51 -51.89 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.57 130.62 35.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.31 76.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.41 -48.53 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 119' ' ' LEU . 15.3 mt -67.55 -25.61 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.561 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -57.31 -51.11 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.2 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -43.63 77.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.132 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -75.07 -44.15 49.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -63.35 -14.89 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.3 -54.05 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.547 HD21 HD23 ' A' ' 123' ' ' LEU . 5.1 p30 -68.43 -25.62 65.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.45 -40.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -47.99 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' ASN . 11.1 mmt180 -58.52 -49.46 77.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.43 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.08 -46.51 27.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CE ' ' CB ' ' A' ' 33' ' ' TRP . 8.1 pttt -65.6 -41.94 92.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 1.047 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -59.6 -48.89 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.047 ' N ' HD13 ' A' ' 134' ' ' LEU . 23.0 mt -58.14 -39.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.92 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 134' ' ' LEU . 40.7 t -62.51 -52.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.0 t80 -58.35 -39.84 80.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' A' ' 10' ' ' LEU . 7.4 tt0 -64.14 -51.5 63.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.75 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 27' ' ' TYR . 1.1 mtt-85 -64.48 -39.63 94.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -74.12 -32.86 63.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 17.0 m-70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -135.01 146.46 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.61 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.0 135.46 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 109' ' ' VAL . 11.8 t -113.35 144.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -138.81 121.68 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -122.58 111.72 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HZ2' ' HB ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -116.68 161.98 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.947 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.3 p -133.34 130.75 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.947 HD23 ' O ' ' A' ' 9' ' ' VAL . 10.9 mt -135.47 128.94 18.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 63.7 6.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 14.5 m-85 -127.57 175.58 8.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 p -74.42 162.34 74.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -18.93 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.16 -39.97 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 142' ' ' ALA . 1.9 mm-40 -52.48 -29.58 25.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' CD1' ' A' ' 97' ' ' PHE . 31.0 mt -63.96 -41.72 97.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.6 -38.05 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.2 mt-10 -79.21 -26.42 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -74.89 -45.52 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' CE2' ' A' ' 97' ' ' PHE . 33.3 t -62.09 -28.32 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -110.31 7.45 30.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.593 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 13.0 t0 -44.54 -34.46 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.925 ' CG2' HG21 ' A' ' 39' ' ' THR . 33.1 m -49.26 -21.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -136.71 -52.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -33.98 -63.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' OD2' ' A' ' 23' ' ' ASP . 3.3 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG12 ' CZ2' ' A' ' 33' ' ' TRP . 6.0 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.5 Cg_endo -74.97 -28.81 8.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.534 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -62.93 -14.52 48.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -133.07 -174.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -130.92 -96.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.625 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.03 149.41 19.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.79 151.6 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 111.055 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 135.56 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.925 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -135.36 116.83 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -178.61 179.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.24 94.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.71 -140.31 3.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -139.22 159.62 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -129.39 117.54 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.01 129.77 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.09 -127.31 11.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -99.21 34.56 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 73' ' ' ASP . 42.4 t -133.37 146.86 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 19.3 m -138.55 122.7 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.667 HG23 ' HG3' ' A' ' 71' ' ' ARG . 97.7 m -117.71 129.74 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -152.04 172.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.84 136.29 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -118.99 108.39 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -103.51 101.41 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 158.46 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' C ' ' CG2' ' A' ' 35' ' ' THR . 32.5 mt-30 -134.88 166.61 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' C ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -126.63 125.99 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.89 -58.85 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.3 32.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.5 m -107.39 6.7 28.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 80.7 t80 60.01 12.09 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.05 94.5 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.74 92.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -145.75 138.66 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 5.6 mttt -95.68 151.73 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.5 m-85 -143.74 153.45 42.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.6 p -151.21 167.03 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HB3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -90.2 113.31 25.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.3 p -90.81 141.95 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.667 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtp180 -136.0 112.52 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.4 OUTLIER -109.47 152.93 24.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.643 ' CG ' HG22 ' A' ' 48' ' ' VAL . 1.2 t0 -136.18 131.83 35.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.66 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 23.6 pttt -94.56 -13.5 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -98.36 -22.6 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.22 -22.32 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 35.48 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 164.19 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.05 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.63 152.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' ARG . 35.4 t70 -146.62 136.18 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 70' ' ' VAL . 48.2 t -133.3 124.81 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.9 m -117.99 150.51 39.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.908 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -62.62 134.7 56.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.908 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -125.48 -58.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -134.69 -0.51 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -177.29 131.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -147.8 140.28 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.618 ' ND2' ' CE1' ' A' ' 108' ' ' PHE . 24.1 t-20 -131.79 125.54 32.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.11 143.06 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.734 ' CE2' ' CE1' ' A' ' 108' ' ' PHE . 73.9 m95 -114.66 147.59 39.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -141.08 145.16 35.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.886 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.2 m-85 -152.24 111.15 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.9 132.33 23.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 150.08 37.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -148.73 65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.1 -136.05 12.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.65 -23.84 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -106.01 159.21 16.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -110.12 147.7 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -106.74 127.96 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.886 HG13 ' CD1' ' A' ' 97' ' ' PHE . 56.5 t -122.42 134.31 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.734 ' CE1' ' CE2' ' A' ' 95' ' ' TRP . 24.0 t80 -123.82 119.59 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 5' ' ' VAL . 5.4 m -111.73 114.96 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.863 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.55 136.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.47 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 17.6 mt-10 -135.61 140.42 44.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HB3' HD12 ' A' ' 91' ' ' LEU . 18.0 p90 -164.88 157.69 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.48 120.33 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 1.092 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.9 m-85 -97.52 161.22 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.98 -53.87 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 m -78.92 123.28 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.44 76.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.84 -51.61 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 123' ' ' LEU . 80.0 mt -64.6 -26.8 68.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 2' ' ' HIS . 1.4 t0 -55.88 -51.52 67.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.78 -38.19 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -47.63 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.092 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -74.67 -49.2 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.55 -13.24 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.94 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.0 p30 -70.1 -23.0 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.469 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.25 -37.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.32 -53.19 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.0 mpt_? -54.89 -47.16 74.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.91 -43.23 81.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -67.11 -26.65 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.84 -41.84 61.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 2.2 ptpt -71.89 -45.91 59.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.8 -43.75 81.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 134' ' ' LEU . 55.6 mt -61.54 -47.21 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.0 72.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.03 -50.63 71.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.7 t80 -60.26 -39.52 87.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.91 -52.16 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.16 83.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -35.96 82.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.599 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -64.66 -43.15 94.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -32.75 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.35 -49.69 25.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' SD ' ' CE1' ' A' ' 2' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.502 0.191 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.489 ' CE1' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -62.61 121.58 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CB ' ' HG2' ' A' ' 111' ' ' GLU . 8.0 ttp180 -104.74 128.28 52.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.653 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -103.54 130.75 51.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.22 130.47 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.872 HG11 ' HB1' ' A' ' 131' ' ' ALA . 10.4 t -130.62 105.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -109.15 139.68 43.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.73 158.4 43.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.019 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.8 t -136.36 132.6 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.0 mt -139.78 129.84 14.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 64.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.948 ' CE2' ' HB1' ' A' ' 142' ' ' ALA . 81.7 m-85 -130.76 167.26 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.4 p -72.09 161.05 80.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.0 -0.92 10.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.69 -48.69 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -27.95 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.0 mt -68.97 -38.96 79.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.28 -37.65 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.47 -28.84 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -74.93 -35.94 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.717 HG13 ' CG1' ' A' ' 79' ' ' ILE . 75.7 t -61.36 -38.17 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.55 14.94 59.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.601 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 35.9 t70 -50.17 -19.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 39' ' ' THR . 7.0 m -67.05 -17.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.22 25.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -108.12 -94.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 29.4 m-85 54.34 90.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' HG2' ' CD ' ' A' ' 141' ' ' ARG . 18.1 Cg_endo -74.99 -2.27 12.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -75.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -179.51 -173.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.913 HG13 ' CE3' ' A' ' 33' ' ' TRP . 9.3 t -160.36 109.04 1.37 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.913 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -56.37 -21.65 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 HG23 ' N ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -120.78 179.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -135.17 -91.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' H ' HG23 ' A' ' 35' ' ' THR . . . -88.29 150.04 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 6.0 tmm? -151.67 150.06 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 37' ' ' MET . 1.3 ttt180 -168.44 131.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 24' ' ' VAL . 23.7 p -136.22 119.1 16.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -178.57 -179.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.035 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 2.8 m-20 63.51 97.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.08 -136.21 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -150.04 155.86 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.512 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.5 p -128.18 122.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.06 132.24 43.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.01 -132.44 6.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.986 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.76 35.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG22 ' CG ' ' A' ' 73' ' ' ASP . 38.3 t -135.63 149.42 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.512 ' OG ' HG23 ' A' ' 44' ' ' VAL . 24.1 m -145.22 136.93 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 16.1 m -136.09 123.04 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.448 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 70' ' ' VAL . 2.5 m -151.5 171.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.37 145.34 47.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -127.84 108.85 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.29 101.39 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.39 154.14 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 3.8 mt-30 -123.25 179.31 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 60' ' ' SER . 3.5 m -136.62 121.83 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.85 -93.79 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -75.65 54.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.8 t -107.39 1.81 23.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 60' ' ' SER . 7.5 t80 77.5 -6.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 2.7 tt -142.52 96.88 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 93.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 8.5 mt-10 -144.64 166.13 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -121.02 162.41 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HE1' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -153.1 146.4 24.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 68' ' ' THR . . . -121.74 143.42 49.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.835 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -154.68 156.64 36.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -80.59 106.21 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.1 p -88.28 128.49 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -121.53 114.5 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.714 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -110.22 144.74 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.593 ' CG ' HG22 ' A' ' 48' ' ' VAL . 13.8 t0 -137.05 129.96 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.986 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.92 -13.39 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -25.53 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.27 -23.77 15.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 61.1 35.92 18.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.4 159.28 39.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.717 ' CG1' HG13 ' A' ' 21' ' ' VAL . 8.1 mm -128.07 138.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -141.41 140.09 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 70' ' ' VAL . 79.0 t -135.55 120.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.9 m -103.36 162.51 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.835 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -78.76 137.93 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.801 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.8 tt -120.54 -56.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.731 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.87 -39.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . 24.04 -140.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.0 3.17 5.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER 73.86 45.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.961 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.48 -56.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 172.98 147.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -174.81 106.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -115.11 148.03 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -155.52 136.4 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 147.34 17.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.961 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -130.39 133.08 46.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' VAL . 1.5 mtt180 -139.19 153.14 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 2.2 p90 -153.82 136.86 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 158.43 58.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.31 35.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -157.64 87.76 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.06 -132.18 10.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.11 -20.8 28.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.79 167.88 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.69 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.42 148.64 32.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -112.66 130.44 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.961 HG11 ' CH2' ' A' ' 95' ' ' TRP . 59.7 t -122.12 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -125.8 135.88 52.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.35 118.44 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 m -99.78 123.68 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.13 124.7 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 3' ' ' ARG . 26.3 mt-10 -137.18 122.94 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.4 p90 -153.49 157.16 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -115.76 128.21 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.205 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.2 m-85 -107.11 174.18 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 -54.42 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -79.11 124.68 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.41 75.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.04 -50.91 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 119' ' ' LEU . 12.5 mt -66.6 -24.48 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.6 OUTLIER -58.87 -50.58 73.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.56 -36.31 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.69 95.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.205 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -74.63 -54.31 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.02 -18.03 12.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.66 -53.95 6.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 27.5 p30 -69.79 -10.98 60.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.429 HG11 ' CG ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -53.11 -36.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.23 -50.02 71.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.3 mpt_? -56.45 -47.47 79.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -55.62 -44.58 77.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.872 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -67.95 -26.54 66.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.01 -36.84 73.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.8 ptpt -75.4 -45.65 37.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 134' ' ' LEU . 65.8 mt -63.98 -57.39 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.93 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.58 -51.11 66.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 20' ' ' LEU . 2.3 t80 -61.51 -42.17 98.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.49 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -62.82 -45.66 91.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.5 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.433 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.37 -35.65 76.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.948 ' HB1' ' CE2' ' A' ' 12' ' ' TYR . . . -63.74 -43.78 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -72.65 -32.79 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -69.61 -30.42 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.01 -55.33 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -65.8 -36.9 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 38.46 42.63 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.464 0.173 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.465 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 41.1 m80 -44.99 118.74 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -122.46 118.99 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.591 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -111.03 131.91 54.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.82 149.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG12 ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -140.69 117.47 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -121.84 128.74 51.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.594 ' HE3' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -137.12 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.618 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.5 t -134.9 125.24 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 9' ' ' VAL . 49.3 mt -129.99 115.56 17.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 67.64 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.56 -176.22 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -81.73 160.75 63.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.02 -6.19 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.52 -47.85 37.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -52.61 -34.25 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.87 -38.53 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.92 -35.39 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.29 -31.21 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -70.05 -46.5 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG22 ' CE1' ' A' ' 97' ' ' PHE . 54.1 t -61.5 -30.8 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -106.81 27.41 16.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.43 -10.4 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG2' HG21 ' A' ' 39' ' ' THR . 4.7 m -81.87 -17.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.87 12.26 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.635 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -118.35 -91.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.0 p90 37.71 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG2' ' NE ' ' A' ' 141' ' ' ARG . 18.5 Cg_endo -75.01 -83.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.57 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -171.84 172.94 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 4.9 m -145.13 95.5 5.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.1 Cg_endo -74.98 -37.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.44 1.758 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.817 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -55.66 -19.13 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 35' ' ' THR . 1.4 tt -131.0 -177.44 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -130.21 -91.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.579 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -99.58 155.52 19.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.13 150.23 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.78 134.29 6.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.2 p -130.41 123.87 30.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.452 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.34 179.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 62.85 98.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.29 -144.0 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -140.63 164.92 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 126.75 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -133.29 132.79 41.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.94 -131.58 10.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -95.68 33.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' CG ' ' A' ' 73' ' ' ASP . 41.3 t -135.96 152.32 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -143.52 141.55 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 71' ' ' ARG . 31.4 m -134.87 124.97 25.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -151.84 171.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.77 138.22 41.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -124.17 108.48 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 67' ' ' ALA . 10.1 tt0 -100.3 100.75 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.16 17.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -125.19 -179.47 4.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.543 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -133.82 124.79 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' PHE . . . -138.77 76.28 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.9 t80 161.64 -23.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.3 p -79.4 8.26 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 7.0 t80 63.68 9.27 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 93.85 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 92.34 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 57' ' ' VAL . 10.6 mt-10 -145.07 134.46 23.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 145.89 26.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.96 154.97 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -131.01 141.89 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.934 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 p -148.6 170.74 17.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -94.12 109.07 20.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 11.8 p -91.8 136.68 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.644 ' HG2' HG23 ' A' ' 50' ' ' THR . 74.2 mtt180 -126.89 113.17 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' CD ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.654 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.4 t0 -144.36 123.69 13.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.761 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 2.2 pttt -93.52 -5.3 49.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.64 -23.4 16.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.03 -23.77 10.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.37 35.85 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 163.73 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.13 151.31 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.0 138.64 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 36.8 t -134.79 123.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.5 m -119.93 150.81 39.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.934 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -60.94 132.44 53.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 85' ' ' TYR . 5.6 tt -123.26 -56.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.607 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -126.99 -4.61 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.85 -143.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 118.66 5.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.63 56.75 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 -47.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 169.1 122.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.53 109.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -140.78 162.85 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . 41.9 t30 -153.32 160.32 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.34 139.66 6.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.814 ' CZ2' ' CE1' ' A' ' 108' ' ' PHE . 90.5 m95 -116.98 146.02 43.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 3.1 mmm180 -142.22 146.9 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.789 ' CE1' HG22 ' A' ' 21' ' ' VAL . 1.9 m-85 -151.44 101.48 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.1 mtp -127.1 141.3 40.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.03 159.73 40.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' NH1' ' A' ' 105' ' ' ARG . 2.6 pt-20 -150.05 57.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.63 -124.63 7.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.12 -20.69 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.65 167.85 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.64 147.88 40.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NH1' ' CD ' ' A' ' 100' ' ' GLU . 7.6 ttm105 -113.63 135.96 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 97' ' ' PHE . 57.3 t -121.99 136.16 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.71 129.85 49.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CE1' ' CZ2' ' A' ' 95' ' ' TRP . 23.0 t80 -125.7 119.25 27.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.4 125.84 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.865 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -118.14 137.43 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.53 121.7 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.75 155.38 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -109.03 122.68 47.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.7 m-85 -102.05 173.65 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -54.28 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 m -85.06 120.7 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.43 71.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.66 -52.89 26.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.95 -27.0 69.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.465 ' CG ' ' CE1' ' A' ' 2' ' ' HIS . 1.1 t0 -56.28 -51.61 67.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.699 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.36 -36.23 53.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.7 mt -74.86 -47.82 28.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.47 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -62.88 -13.8 38.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.37 -54.25 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.613 HD21 HD23 ' A' ' 123' ' ' LEU . 18.6 p30 -68.63 -20.34 64.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -48.25 -42.62 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -44.21 94.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -60.86 -54.34 46.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -55.35 -33.04 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.869 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.91 -47.9 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.3 -46.44 71.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.514 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 5.0 pttt -61.29 -42.7 99.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -58.1 -40.82 82.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.579 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 40.5 mm -63.76 -41.73 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.74 76.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.84 -51.94 62.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 16.0 t80 -62.46 -41.83 99.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.19 -48.91 79.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.53 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.414 ' NE ' ' HG2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -64.12 -34.91 79.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.04 89.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -32.54 65.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.46 -31.67 70.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.6 tp -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -64.77 -29.95 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.591 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -52.88 -57.62 13.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.466 0.174 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.412 ' ND1' ' CG ' ' A' ' 120' ' ' ASP . 33.4 m80 -73.71 118.52 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 4.6 ttp180 -112.09 121.67 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.587 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -106.24 132.34 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 144.13 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.95 112.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -115.54 129.01 56.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.522 ' HZ3' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.06 162.24 33.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.739 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.6 p -135.07 130.18 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 9' ' ' VAL . 22.0 mt -136.16 120.29 12.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 64.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -139.86 171.35 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 p -72.44 161.05 81.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.02 0.3 9.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.35 -45.94 71.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -52.87 -33.19 48.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.3 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -46.11 -40.93 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.36 -26.72 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -74.55 -41.77 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.708 HG13 HD11 ' A' ' 79' ' ' ILE . 88.1 t -57.54 -30.28 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.65 26.63 11.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.81 -7.33 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' HG21 ' A' ' 39' ' ' THR . 3.7 m -81.5 -21.74 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.589 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 5.4 t70 -121.95 -40.45 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . -72.0 -98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 35.2 p90 47.87 164.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -91.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.25 40.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 1.1 t80 -134.78 -72.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.815 ' HB ' HG22 ' A' ' 34' ' ' ILE . 14.2 m 33.96 83.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.1 Cg_endo -75.07 -39.23 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.72 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -56.65 -19.98 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.815 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -128.76 -172.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.45 -90.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.441 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.67 155.04 21.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.83 151.89 16.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 131.83 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.566 HG21 ' CG2' ' A' ' 24' ' ' VAL . 67.6 p -130.85 120.97 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.08 179.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 0.9 OUTLIER 63.67 98.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.59 -142.53 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -143.9 152.49 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -119.8 126.55 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.9 131.35 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.18 -130.4 6.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -96.46 36.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.602 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.1 t -136.58 149.09 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m -137.66 131.36 31.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.681 HG23 ' HG3' ' A' ' 71' ' ' ARG . 84.4 m -127.58 124.54 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.39 172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.3 146.75 38.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -131.72 107.86 9.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.624 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -104.08 101.2 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.38 157.79 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.5 mt-30 -126.18 -179.68 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.487 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.26 125.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.31 159.57 22.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 56.35 16.28 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -107.28 8.45 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 6.3 t80 62.15 10.12 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 94.86 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 92.75 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -144.95 151.05 38.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -119.66 158.68 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 11.0 m-85 -153.59 152.47 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' ' CG ' ' A' ' 54' ' ' GLU . . . -131.35 141.75 49.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -150.81 159.21 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -79.77 110.99 15.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.9 ' HA ' HG22 ' A' ' 81' ' ' VAL . 4.4 p -87.39 133.49 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.3 mtt-85 -128.13 124.77 37.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.18 46.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.231 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 48' ' ' VAL . 37.3 t0 -143.79 131.84 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.805 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.63 -9.92 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -96.95 -23.34 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.89 -27.28 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.6 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.13 161.4 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -123.96 140.6 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -150.48 137.18 19.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.9 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.5 t -139.79 131.53 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.5 m -119.23 159.18 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.949 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 tp -64.47 135.75 56.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -122.89 -57.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -4.15 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.46 -150.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.63 2.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' HA ' HD21 ' A' ' 83' ' ' LEU . 35.4 m-85 -68.45 91.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.792 ' HE3' ' HB1' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -169.08 -50.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 168.6 120.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.767 HD12 ' CB ' ' A' ' 112' ' ' PHE . 2.1 tt -165.53 114.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.3 148.23 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.6 109.55 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.21 147.77 17.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.623 ' CZ2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -145.54 128.8 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.472 ' CD ' ' HB3' ' A' ' 78' ' ' SER . 2.5 mmt180 -134.81 159.0 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.853 ' CD2' HD13 ' A' ' 17' ' ' LEU . 1.4 p90 -150.45 135.63 17.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 mtt -144.96 157.2 54.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.446 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 18.2 Cg_endo -75.01 150.11 37.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 99' ' ' PRO . 21.8 mt-10 -162.99 95.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.34 -134.55 12.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.39 -26.17 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.74 167.37 10.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.05 147.92 26.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 131.99 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.623 HG11 ' CZ2' ' A' ' 95' ' ' TRP . 82.4 t -121.59 141.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -127.52 124.24 37.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 8.0 t80 -120.55 121.54 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.85 139.92 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.2 pp -126.4 122.57 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 4.7 mt-10 -136.02 127.85 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 110' ' ' ILE . 1.1 p90 -156.51 160.93 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.792 ' HB1' ' HE3' ' A' ' 89' ' ' LYS . . . -107.59 121.53 44.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 120' ' ' ASP . 1.6 m-85 -102.2 171.89 7.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -51.85 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.74 113.17 24.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.7 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.65 -54.1 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.92 -23.99 66.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.556 ' HA ' ' CD2' ' A' ' 114' ' ' PHE . 1.2 t0 -59.25 -52.1 67.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.84 -35.37 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -50.68 73.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.657 HD23 HD21 ' A' ' 126' ' ' ASN . 4.0 mt -75.37 -40.8 57.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -64.48 -16.62 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.43 -54.14 7.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.657 HD21 HD23 ' A' ' 123' ' ' LEU . 8.5 p30 -68.21 -25.03 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.22 -41.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -62.17 -46.86 87.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' ASN . 5.2 mmt180 -60.91 -54.16 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.89 -35.25 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.833 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -70.78 -34.17 71.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.19 95.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.501 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.3 pttt -70.27 -41.68 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -60.51 -42.51 96.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.522 HG12 ' HZ3' ' A' ' 8' ' ' LYS . 71.5 mt -63.19 -46.17 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.15 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.22 -51.42 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 14.8 t80 -62.42 -40.68 97.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.78 82.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -36.52 81.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.94 92.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.51 ' O ' ' CA ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -71.65 -32.36 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -73.13 -28.1 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -60.01 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -80.25 -59.12 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.605 ' N ' ' CG ' ' A' ' 146' ' ' HIS . . . 34.06 39.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.486 ' H ' ' CE1' ' A' ' 146' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.521 0.2 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.4 OUTLIER -72.4 151.65 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.626 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -133.31 117.29 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.644 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -99.26 127.45 45.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -105.25 145.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 135' ' ' ILE . 1.8 t -145.0 104.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -114.94 122.05 45.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 168.06 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.599 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.3 t -135.25 120.91 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 138' ' ' PHE . 20.7 mt -119.53 119.94 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -74.96 62.85 5.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -143.85 177.29 8.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -70.41 159.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.31 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -67.95 -39.25 83.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 138' ' ' PHE . 3.2 mp0 -53.41 -25.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 106' ' ' VAL . 15.8 mt -68.2 -42.23 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -39.76 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.2 -27.56 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 2.0 mt -77.4 -40.91 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.919 HG13 HG13 ' A' ' 79' ' ' ILE . 74.2 t -61.64 -38.44 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.88 21.85 41.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.96 -8.51 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 17.6 m -84.66 -18.17 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -136.37 10.95 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.1 -90.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.4 p90 37.9 93.45 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.02 4.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.43 169.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 31' ' ' VAL . 2.1 t80 62.87 108.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -169.98 71.33 0.63 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.99 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.689 ' CZ2' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.0 -31.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.692 HD11 ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -122.48 -169.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.97 -91.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.585 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.37 156.54 22.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.3 pmm? -161.75 151.78 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.88 131.3 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 31.4 p -133.36 120.65 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.84 176.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.93 100.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 177.2 -136.05 2.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -144.32 156.23 44.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.7 p -132.51 119.08 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -130.83 128.83 41.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.28 -130.63 8.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.86 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.54 35.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.3 t -133.82 146.9 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.662 ' OG ' HG23 ' A' ' 44' ' ' VAL . 9.3 m -145.55 131.56 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.844 HG23 ' HG3' ' A' ' 71' ' ' ARG . 57.5 m -131.91 128.12 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.4 m -152.35 172.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.96 140.45 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.07 114.23 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -110.39 100.99 9.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -106.31 164.62 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 35' ' ' THR . 25.5 mt-30 -128.94 -178.8 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.558 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.05 125.38 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.67 68.26 0.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 172.63 -27.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.82 8.04 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.654 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 63.44 10.0 4.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.44 93.8 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 91.99 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.7 mt-10 -145.57 134.02 21.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -95.03 153.01 17.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.9 155.15 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.46 142.27 47.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.866 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.2 p -150.74 162.23 41.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HG3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -85.38 112.3 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.9 p -93.29 136.09 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.844 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.4 mtp180 -128.37 118.35 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.8 OUTLIER -115.19 152.1 33.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.55 ' CG ' HG22 ' A' ' 48' ' ' VAL . 8.8 t0 -146.44 126.62 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.86 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.25 -20.98 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -88.69 -27.5 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -97.07 -22.96 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 3.3 mtm-85 60.74 35.35 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 163.78 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.919 HG13 HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -139.24 141.49 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.87 141.79 24.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 70' ' ' VAL . 14.2 t -137.07 133.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.1 m -114.83 152.86 31.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -74.42 136.71 42.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -124.07 -59.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -134.16 -2.36 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -47.29 -106.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.895 ' HD2' HD13 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -74.99 0.43 8.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' PRO . 2.6 t80 37.15 41.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.28 -60.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -171.59 126.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -175.72 146.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.12 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -141.54 129.79 22.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -139.8 145.31 16.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.758 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 84.0 m95 -126.59 112.44 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -112.68 149.37 32.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.693 ' HZ ' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -131.19 130.46 43.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 115.92 4.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.0 156.86 43.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.441 1.759 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.54 60.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.27 -136.54 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -70.07 -30.76 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.73 163.05 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -120.39 147.4 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -115.3 130.22 56.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 17' ' ' LEU . 61.9 t -120.29 141.28 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.53 127.62 48.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.766 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 5.0 t80 -120.01 117.32 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.32 131.19 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.766 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -129.54 137.36 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -136.38 138.27 41.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 1' ' ' MET . 1.0 OUTLIER -136.87 171.73 14.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -140.53 120.97 14.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 47.5 m-85 -128.27 158.18 38.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -40.72 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -83.61 109.58 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.05 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.69 -57.93 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.89 -26.87 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -57.74 -51.48 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.723 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -79.03 -32.57 45.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -49.35 76.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.685 HD23 HD21 ' A' ' 126' ' ' ASN . 6.5 mt -75.73 -45.8 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.644 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -63.65 -16.19 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -75.79 -53.41 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.685 HD21 HD23 ' A' ' 123' ' ' LEU . 7.9 p30 -66.5 -27.64 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -43.26 -40.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.11 -45.55 91.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' ASN . 8.5 mmt85 -58.82 -49.57 77.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.34 82.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.412 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -69.42 -29.19 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.31 -47.72 28.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.43 -33.81 76.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.689 HD12 ' CZ2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -68.35 -41.19 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.532 HG13 HD23 ' A' ' 134' ' ' LEU . 53.1 mt -62.77 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.42 77.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 38.3 t -63.09 -51.43 66.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.345 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.714 ' CE2' HD12 ' A' ' 10' ' ' LEU . 14.8 t80 -60.11 -39.03 84.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.48 -49.28 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.91 91.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -36.2 83.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.66 96.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.88 -32.68 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.01 -35.11 76.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.12 -54.75 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -64.51 -31.19 72.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.09 -56.65 22.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -41.25 139.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.614 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 5.6 ttt180 -135.28 116.45 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.652 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -106.69 131.84 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.604 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.72 133.09 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.67 103.45 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -112.59 135.31 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -144.13 169.41 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.5 t -134.89 124.57 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 9' ' ' VAL . 6.8 mt -125.83 120.04 24.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 76.88 3.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CE2' ' HD2' ' A' ' 11' ' ' PRO . 66.1 m-85 -149.74 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -76.78 161.24 74.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.711 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 0.82 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.36 -45.41 69.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 16.3 mt-30 -52.16 -23.0 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 14' ' ' PRO . 4.9 mt -75.12 -42.02 57.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -45.12 -37.45 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.21 -33.82 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -72.57 -39.49 67.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.925 HG13 ' CG1' ' A' ' 79' ' ' ILE . 78.0 t -61.12 -40.11 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.4 15.76 58.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 21.4 t0 -50.17 -21.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.1 m -66.78 -12.4 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.33 25.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -110.45 -88.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 73.4 m-85 55.84 91.47 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' NH2' ' A' ' 141' ' ' ARG . 18.3 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.7 ' HG2' HH21 ' A' ' 141' ' ' ARG . 0.0 OUTLIER -152.68 -69.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -179.09 172.68 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.05 HG13 ' CE3' ' A' ' 33' ' ' TRP . 48.0 t -144.74 108.41 4.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.16 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.05 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -58.47 -16.03 13.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -131.75 178.13 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -129.64 -94.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.388 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.601 ' H ' HG23 ' A' ' 35' ' ' THR . . . -101.25 151.83 18.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -162.34 152.32 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.07 133.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 24' ' ' VAL . 82.4 p -126.31 120.26 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.25 177.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 65.76 100.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.32 -144.82 7.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -142.95 153.05 42.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.47 124.76 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -133.14 130.69 39.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.12 -132.59 6.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.912 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.2 35.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.5 t -134.62 148.49 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.35 131.55 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.045 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 71' ' ' ARG . 54.9 m -130.48 125.04 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.681 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -151.92 171.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -79.37 136.18 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -122.88 108.12 12.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 37' ' ' MET . 15.6 tt0 -103.89 99.9 9.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.7 171.48 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.51 ' C ' ' CG2' ' A' ' 35' ' ' THR . 53.8 mt-30 -136.85 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 64' ' ' GLU . 1.2 m -130.25 123.53 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.75 153.25 17.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.69 15.09 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 81.5 p -101.75 8.21 41.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 4.1 t80 62.82 9.15 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.0 tt -138.94 94.08 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 94.14 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.9 mt-10 -144.59 132.66 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -95.45 156.61 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 14.9 m-85 -146.73 152.77 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 85' ' ' TYR . . . -126.82 141.33 51.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.904 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -153.3 157.86 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.681 ' HE ' HH21 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -82.74 109.86 17.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.1 p -89.77 135.62 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.681 HH21 ' HE ' ' A' ' 69' ' ' ARG . 4.3 mtt180 -127.62 128.62 45.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -127.87 146.95 50.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.566 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 t0 -143.2 116.82 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.912 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -25.86 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -101.17 -22.27 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 60.01 36.4 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 161.6 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.925 ' CG1' HG13 ' A' ' 21' ' ' VAL . 1.7 mm -133.17 139.88 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.42 140.14 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.7 t -134.47 136.02 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.8 m -119.68 158.56 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.904 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -67.4 134.42 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.754 ' N ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -124.32 -60.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -128.15 -2.43 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.04 -135.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.542 ' CD ' HD13 ' A' ' 91' ' ' LEU . 18.5 Cg_endo -74.96 127.64 10.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -82.73 72.24 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.84 -52.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 175.46 138.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.542 HD13 ' CD ' ' A' ' 87' ' ' PRO . 8.3 tt -176.18 130.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -152.07 148.51 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -149.93 149.06 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.94 148.01 14.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 108' ' ' PHE . 57.2 m95 -119.22 126.65 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.77 146.77 42.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.891 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.9 m-85 -145.22 111.84 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.4 136.5 29.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.22 40.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 -136.74 12.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.64 -26.9 60.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -105.88 167.12 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 147.39 43.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.429 ' HG3' HG22 ' A' ' 9' ' ' VAL . 5.0 ttm180 -105.77 133.64 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 97' ' ' PHE . 57.9 t -120.68 138.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -129.53 123.25 30.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.796 ' CE2' ' CH2' ' A' ' 95' ' ' TRP . 3.9 t80 -113.12 119.86 39.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.44 123.37 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.89 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.1 pp -117.4 119.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 36.1 mt-10 -136.48 118.37 15.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.89 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.5 p90 -149.14 157.25 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -112.1 121.13 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.5 m-85 -95.37 161.58 14.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -52.98 6.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -85.43 128.13 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.75 73.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.53 -46.65 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' A' ' 123' ' ' LEU . 13.3 mt -69.5 -24.16 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -59.07 -51.2 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -74.8 -35.55 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -48.55 78.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.734 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.7 mt -75.0 -40.92 60.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -69.96 -14.22 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.94 -54.34 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.3 p30 -69.8 -25.18 63.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.519 HG11 ' CG ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -41.72 -34.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.76 -52.98 54.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER -59.77 -53.01 63.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' CA ' ' HE2' ' A' ' 133' ' ' LYS . . . -54.49 -37.08 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.67 -45.39 90.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.93 81.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HE3' ' CB ' ' A' ' 33' ' ' TRP . 2.3 pttt -60.84 -42.25 97.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -57.65 -41.0 80.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.455 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 29.3 mm -66.6 -50.04 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.91 63.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.1 t -67.89 -51.38 48.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 2.8 t80 -60.65 -44.9 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -48.95 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.81 73.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.7 HH21 ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.404 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -64.64 -41.5 96.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 146' ' ' HIS . 1.6 tt0 -75.23 -32.89 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -71.49 -36.54 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.85 -59.9 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -72.35 -8.32 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.16 -67.81 1.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 120' ' ' ASP . 34.8 m80 -60.72 124.51 20.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -120.2 125.62 48.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.654 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -108.76 140.9 41.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.06 139.12 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 131' ' ' ALA . 2.2 t -136.41 108.04 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -120.34 119.41 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 155.0 39.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p -126.55 114.37 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.51 121.03 32.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.92 63.53 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.1 177.77 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -76.56 161.54 74.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.04 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -72.4 -46.63 54.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -54.15 -23.69 15.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.4 mt -71.05 -41.52 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.17 -36.62 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.28 -28.96 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -71.29 -39.99 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.863 HG22 ' CZ2' ' A' ' 95' ' ' TRP . 12.7 t -59.81 -43.21 91.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -97.33 24.63 30.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.7 t70 -67.38 -7.16 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HB ' HG21 ' A' ' 39' ' ' THR . 15.9 m -87.17 -18.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -131.37 6.61 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.656 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -123.34 -90.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 44.3 p90 40.23 58.64 7.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 54.17 3.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HB3' ' CD ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -158.89 -157.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 3.9 t80 -92.48 136.17 33.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.752 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 25.8 m -138.72 80.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.0 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.752 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -52.76 -21.29 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.5 tt -127.12 -177.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.08 -91.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.56 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -90.45 148.16 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 42.1 tpp -153.97 147.91 25.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -167.36 131.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.634 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.1 p -135.73 118.84 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.43 179.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.26 92.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.69 -136.82 2.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 162.68 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.1 p -134.5 119.92 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -130.2 131.12 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.72 -131.57 7.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.88 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.92 35.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.8 148.04 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.498 ' OG ' HG23 ' A' ' 44' ' ' VAL . 59.1 m -141.88 134.2 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.515 HG23 ' HG3' ' A' ' 71' ' ' ARG . 47.3 m -129.3 126.84 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -151.36 172.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -75.89 144.67 41.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -123.61 109.08 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.62 101.95 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.25 153.0 30.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -124.46 -178.73 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.8 OUTLIER -137.78 124.92 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.72 -60.23 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.43 33.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 4.0 m -106.54 6.64 30.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 60' ' ' SER . 28.8 t80 62.79 13.35 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 62' ' ' LEU . 3.8 tp -145.13 113.24 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -83.91 90.96 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.37 164.58 31.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 157.33 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -146.61 154.73 41.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' THR . . . -136.67 139.52 42.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -154.39 155.31 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -80.11 110.28 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.6 p -88.2 135.55 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.5 mtp180 -123.58 114.8 20.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 72' ' ' ARG . 4.2 mtm105 -108.65 148.23 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 33.4 t0 -141.26 127.77 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.88 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.43 -12.06 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -95.36 -22.89 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.34 -21.93 13.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' O ' ' CZ3' ' A' ' 95' ' ' TRP . 1.8 mtm105 61.18 33.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.74 160.63 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -128.16 152.24 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -151.55 137.83 18.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG12 ' HB ' ' A' ' 68' ' ' THR . 28.4 t -127.16 138.27 55.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.2 m -118.9 154.59 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.886 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -71.37 130.84 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' A' ' 85' ' ' TYR . 1.8 tt -124.86 -56.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.838 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -133.47 -1.53 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -53.39 -117.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.02 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.682 ' HA ' HD11 ' A' ' 83' ' ' LEU . 1.4 t80 33.31 45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 -55.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.21 124.42 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 91' ' ' LEU . 6.3 tt -176.82 127.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.34 146.58 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -141.94 157.9 44.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 163.05 20.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.863 ' CZ2' HG22 ' A' ' 21' ' ' VAL . 12.4 p-90 -149.18 151.0 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.91 142.34 42.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' A' ' 95' ' ' TRP . 20.4 m-30 -94.14 145.44 24.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.07 93.46 2.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 148.99 36.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 57.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.13 -130.01 8.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.09 -19.86 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.17 167.44 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.72 146.62 50.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.48 125.8 46.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.7 t -110.98 141.76 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' TRP . 7.2 mt-10 -126.09 131.43 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.4 118.94 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -99.11 125.66 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.846 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.31 123.35 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -136.36 117.59 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.846 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.0 p90 -146.79 160.79 41.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -110.56 129.08 55.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.831 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -108.58 169.23 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -54.38 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 m -93.12 121.8 34.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.88 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.87 -50.19 63.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.87 -24.62 66.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.68 -52.13 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.09 -34.98 61.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -49.04 77.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.831 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.9 mt -75.66 -42.94 49.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.552 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -66.84 -14.37 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.49 -53.28 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.536 HD21 HD23 ' A' ' 123' ' ' LEU . 6.0 p30 -69.12 -24.08 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.23 -44.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.9 t0 -62.24 -44.32 96.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.5 OUTLIER -59.59 -49.1 79.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.22 84.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.3 -32.31 73.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.39 85.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.493 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 8.8 pttt -72.18 -37.72 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.92 -40.15 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.57 -35.77 62.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.74 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.61 -50.37 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.572 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 62.7 t80 -65.75 -45.62 81.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -47.68 83.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.92 80.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.416 ' CD ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.79 -35.46 80.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.12 95.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.96 -32.84 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.01 78.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.07 -56.5 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -63.44 -30.2 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -52.87 -56.17 19.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.69 ' HG2' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.468 0.175 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.548 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 29.8 m80 -58.59 118.39 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.43 143.26 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.654 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -127.86 131.04 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 2.2 p -103.76 152.55 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.648 HG11 HD11 ' A' ' 135' ' ' ILE . 1.3 t -148.81 115.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -119.06 113.47 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 160.03 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' O ' HD23 ' A' ' 10' ' ' LEU . 9.6 p -136.49 122.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -137.46 130.31 16.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.0 70.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -129.85 168.66 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 13' ' ' THR . 3.3 p -80.59 166.45 39.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.05 -1.29 11.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 18' ' ' PHE . 8.1 t0 -74.87 -48.03 27.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 1.9 mm-40 -51.26 -39.74 57.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.002 HD12 ' HA ' ' A' ' 14' ' ' PRO . 2.3 mt -59.25 -39.0 81.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' ASP . 17.3 t80 -45.95 -39.48 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.26 -32.25 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.77 -35.73 70.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.011 HG13 HD11 ' A' ' 79' ' ' ILE . 79.3 t -60.38 -34.66 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.08 27.68 16.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 5.7 t70 -71.05 -6.76 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG23 HG21 ' A' ' 39' ' ' THR . 20.7 m -79.68 -14.21 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' A' ' 27' ' ' TYR . 16.7 t70 -133.49 -36.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.735 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -80.69 -93.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.735 ' O ' ' O ' ' A' ' 26' ' ' ALA . 50.9 p90 44.07 162.46 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -107.94 21.33 17.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HD2' ' HG ' ' A' ' 137' ' ' CYS . 27.3 t80 -136.81 103.87 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.5 m -146.31 83.28 8.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.578 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.28 -22.24 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 108.03 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.56 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.0 tt -128.85 -179.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -127.65 -90.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.572 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.92 152.33 19.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 22.5 tpp -154.47 151.34 28.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -163.46 139.35 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.642 HG21 HG23 ' A' ' 24' ' ' VAL . 51.4 p -135.82 119.27 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.498 ' NE1' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -179.38 177.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.498 ' ND2' ' NE1' ' A' ' 40' ' ' TRP . 1.2 m-20 65.82 100.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.86 -144.15 7.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.62 160.28 40.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.92 124.4 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -134.25 132.9 40.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.84 -131.29 6.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -95.34 37.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.64 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.6 t -136.42 149.34 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.4 130.46 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.707 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.9 m -127.48 125.82 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 110.369 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.21 172.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.03 138.97 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -114.93 107.95 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.01 100.61 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.07 153.88 26.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' CG2' ' A' ' 35' ' ' THR . 3.8 mt-30 -124.66 179.84 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.542 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -135.7 125.15 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.98 -47.22 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 37.3 t80 -75.6 -5.46 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -85.51 5.02 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 16.8 t80 58.81 12.12 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -128.03 105.38 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 92.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.34 158.09 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -126.03 152.53 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -151.97 156.91 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.33 141.97 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.922 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -147.71 156.86 43.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 3.3 tpt180 -78.47 112.08 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.0 p -93.83 131.8 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.48 125.49 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.72 152.89 46.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t0 -145.91 129.84 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.795 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 4.3 pttt -90.83 -11.8 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 -24.04 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.86 -28.25 13.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 60.85 38.14 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.43 160.72 33.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 1.011 HD11 HG13 ' A' ' 21' ' ' VAL . 16.4 mm -125.6 137.77 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -143.14 139.4 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.0 t -139.04 135.87 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.1 m -122.46 155.63 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.979 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -74.05 132.56 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.979 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -124.04 -56.22 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -132.54 -1.95 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -51.57 -113.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.4 Cg_endo -74.99 0.94 8.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 87' ' ' PRO . 6.4 t80 35.63 39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.31 -58.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.31 123.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CD2' HG21 ' A' ' 68' ' ' THR . 3.7 tt -176.63 145.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.85 165.85 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -155.21 118.23 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.32 141.66 12.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.859 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -143.22 131.55 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -138.91 158.98 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.865 ' CD2' HD13 ' A' ' 17' ' ' LEU . 14.6 p90 -154.72 145.47 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -151.32 138.12 11.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 149.52 36.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.94 176.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 37.98 -132.46 1.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.82 -21.45 15.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -128.77 164.49 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -92.77 148.36 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.13 127.61 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.859 HG11 ' CH2' ' A' ' 95' ' ' TRP . 57.7 t -120.04 139.49 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -123.87 127.75 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -125.66 108.44 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 109' ' ' VAL . 26.8 m -108.32 118.42 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.843 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -107.47 134.49 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 88.2 mt-10 -124.17 147.67 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -173.87 159.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -123.36 120.33 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.865 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.7 m-85 -96.77 170.23 9.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 -52.31 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -81.99 119.5 24.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.36 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 118' ' ' LEU . 3.2 mm? -70.43 -54.07 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.51 -26.71 68.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.548 ' OD1' ' CG ' ' A' ' 2' ' ' HIS . 2.4 t0 -56.52 -51.57 68.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.95 -37.47 55.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.88 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.865 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.0 mt -74.85 -47.61 29.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.51 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -63.51 -13.14 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.4 -53.63 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.487 HD21 HD23 ' A' ' 123' ' ' LEU . 11.4 p30 -71.74 -25.01 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -44.47 -42.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.23 -44.93 93.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.71 -49.47 77.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.37 78.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.648 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.17 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.84 -45.86 91.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.088 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.0 pttt -69.1 -41.03 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.766 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -61.86 -41.54 97.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.648 HD11 HG11 ' A' ' 6' ' ' VAL . 31.9 mt -62.61 -47.28 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.37 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.401 ' HG ' ' HD2' ' A' ' 30' ' ' PHE . 28.3 t -62.05 -50.99 69.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.92 -39.01 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.484 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.91 -51.5 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.52 72.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -37.02 85.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.499 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -63.82 -43.49 96.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.4 OUTLIER -72.45 -32.78 66.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.21 -34.49 77.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -51.85 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -65.11 -31.52 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.59 -55.56 29.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.651 ' SD ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.483 0.182 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.598 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 35.2 m-70 -41.31 118.93 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -125.31 117.82 24.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.68 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.12 142.44 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 16.2 t -105.11 145.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.683 HG12 HD11 ' A' ' 135' ' ' ILE . 2.9 t -150.52 103.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -121.42 124.4 44.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -129.4 158.52 38.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.636 ' O ' HD23 ' A' ' 10' ' ' LEU . 55.4 t -136.69 130.26 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -139.67 130.47 14.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.97 56.25 4.18 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.5 m-85 -115.17 161.32 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.6 p -66.0 162.79 42.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.878 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 14.3 t0 -74.56 -48.04 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' N ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -51.48 -23.0 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.3 mt -69.13 -44.99 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -45.13 -32.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.62 -35.41 45.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD11 ' CG ' ' A' ' 138' ' ' PHE . 2.9 mt -75.89 -38.23 58.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG22 ' CE2' ' A' ' 97' ' ' PHE . 40.6 t -61.73 -35.56 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -104.71 23.26 31.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.82 -16.22 6.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.5 m -83.96 -12.19 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.6 14.21 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.629 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.91 -94.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.632 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.4 p90 39.88 99.05 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -38.49 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -177.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CZ ' ' NZ ' ' A' ' 133' ' ' LYS . 14.3 t80 56.66 61.12 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 1.9 m -141.53 69.28 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HD2' ' CD ' ' A' ' 133' ' ' LYS . 18.5 Cg_endo -74.95 -37.41 2.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -48.61 -23.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -123.42 176.12 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -135.35 -90.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.71 154.85 20.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.62 151.69 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.81 132.13 5.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 70.8 p -131.66 118.56 20.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.35 179.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.9 97.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 175.3 -149.04 9.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -135.39 160.03 39.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -125.31 127.81 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.27 130.95 37.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.97 -131.71 6.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.44 36.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 73' ' ' ASP . 33.7 t -136.53 149.09 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.59 133.44 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 71' ' ' ARG . 83.8 m -127.72 122.4 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.3 m -152.22 172.27 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.32 139.6 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -125.58 111.94 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -104.09 100.21 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 154.73 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.466 ' C ' ' CG2' ' A' ' 35' ' ' THR . 15.7 mt-30 -125.23 178.71 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.505 ' C ' HG21 ' A' ' 35' ' ' THR . 1.4 m -135.24 126.0 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.33 -65.43 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.0 35.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.4 m -108.05 5.53 26.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 55.4 t80 59.9 11.61 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -139.12 94.62 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 91.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -145.54 161.22 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.1 ptmt -121.02 150.97 40.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 3.5 m-85 -146.94 147.2 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 68' ' ' THR . . . -125.79 141.6 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.78 156.43 40.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.392 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.0 ttt180 -78.14 110.02 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.1 p -88.29 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.37 114.78 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -109.65 155.46 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.675 ' CG ' HG22 ' A' ' 48' ' ' VAL . 15.0 t0 -147.33 126.35 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.902 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -92.01 -10.75 38.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -23.09 15.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.17 -26.71 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 9.2 mmt-85 61.92 36.51 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.492 ' O ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -131.63 153.39 49.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.752 HD11 ' CG1' ' A' ' 21' ' ' VAL . 20.7 mm -119.93 142.55 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -144.55 137.26 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' VAL . 98.2 t -135.33 130.58 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.9 m -120.78 161.81 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.919 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.7 tp -63.86 131.35 47.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.7 tt -123.4 -56.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.558 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -129.62 -4.2 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.94 -150.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.638 ' HA ' HD21 ' A' ' 83' ' ' LEU . 60.9 m-85 -61.42 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.88 -49.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.72 131.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 112' ' ' PHE . 2.3 tp -173.24 116.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -140.14 138.66 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.0 t-20 -150.73 124.38 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.81 161.73 33.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.698 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -146.49 166.63 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -131.71 147.22 52.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.868 ' CE2' HG22 ' A' ' 21' ' ' VAL . 20.3 m-85 -123.28 106.93 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.85 148.73 71.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.04 38.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -158.68 91.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -131.95 10.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -89.22 -19.88 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.51 168.0 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.77 147.89 24.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.499 ' HA ' HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -108.39 130.67 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 97' ' ' PHE . 60.7 t -121.05 131.48 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.85 124.15 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 1.6 t80 -123.82 120.42 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.1 m -106.85 126.5 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -113.32 118.2 57.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -137.19 119.49 15.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.821 ' HB3' HD12 ' A' ' 91' ' ' LEU . 1.4 m-85 -151.72 154.72 36.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.651 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . -114.11 120.87 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 8.4 m-85 -97.23 168.64 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -50.0 7.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 m -87.2 118.14 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.52 64.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.35 -54.08 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.91 -29.0 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.598 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 3.4 t0 -53.72 -52.38 60.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.61 -41.25 39.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.41 ' O ' ' HB3' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -53.96 -46.56 71.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.7 mt -74.15 -44.27 54.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -60.28 -16.47 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 122' ' ' MET . . . -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.793 HD21 HD23 ' A' ' 123' ' ' LEU . 7.6 p30 -67.24 -26.1 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -44.67 -41.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.06 -40.64 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.8 mmp_? -64.64 -50.46 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -58.94 -49.84 76.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -62.0 -29.17 70.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.72 -50.27 25.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.38 -36.94 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.9 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -63.0 -42.68 99.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 6' ' ' VAL . 52.2 mt -61.94 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.94 -51.71 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.632 ' CG ' HD11 ' A' ' 20' ' ' LEU . 15.4 t80 -57.86 -39.29 77.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.55 ' HG3' HD22 ' A' ' 10' ' ' LEU . 1.8 tt0 -65.04 -52.08 57.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.01 77.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -38.67 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -62.77 -43.39 98.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.7 tt0 -72.23 -32.8 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -67.57 -37.35 82.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.02 -50.66 21.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -67.42 -30.71 70.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.52 -57.25 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.34 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.503 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 42.2 m80 -45.06 118.43 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.635 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -123.79 146.09 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.718 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -128.94 137.16 51.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.594 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 11.8 t -104.1 147.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.421 HG12 HD11 ' A' ' 135' ' ' ILE . 2.4 t -149.18 111.22 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -118.09 131.73 56.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.713 ' HD3' HG23 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -138.71 163.53 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.717 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.4 p -136.52 126.88 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 138' ' ' PHE . 40.0 mt -126.55 117.1 22.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 70.78 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -152.22 -176.1 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.7 p -78.92 160.68 71.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.894 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 0.83 8.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.01 -49.09 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.66 -33.53 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -62.79 -39.42 94.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -46.81 -37.93 9.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -26.34 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.783 HD13 ' CH2' ' A' ' 95' ' ' TRP . 1.5 mt -73.35 -46.03 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 44.0 t -59.71 -41.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.78 27.15 21.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' HA ' ' H ' ' A' ' 27' ' ' TYR . 10.3 t70 -68.73 -8.29 41.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.896 ' CG2' HG21 ' A' ' 39' ' ' THR . 27.0 m -87.22 5.02 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.646 ' O ' ' CZ ' ' A' ' 27' ' ' TYR . 4.7 t70 -148.39 -35.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' O ' ' CD1' ' A' ' 27' ' ' TYR . . . -81.49 -57.84 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.657 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER 24.12 59.11 0.37 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 18.2 Cg_endo -74.98 62.75 5.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 163.91 163.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -61.64 140.23 58.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 2.4 m -132.52 89.52 35.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.19 2.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.895 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.27 -19.48 14.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -132.26 179.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -132.57 -91.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.556 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.61 152.69 20.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.402 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.01 151.36 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.53 129.65 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.896 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -130.7 120.31 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.66 177.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.56 99.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.32 -140.57 4.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 157.76 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.01 124.24 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.01 133.26 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.35 -131.85 5.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.937 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.7 37.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.506 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.3 t -136.1 147.87 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.3 m -141.72 121.73 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.651 HG23 ' HG3' ' A' ' 71' ' ' ARG . 55.1 m -117.62 127.47 53.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -152.27 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.67 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.06 107.81 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 100.58 11.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.4 156.68 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.496 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.9 mt-30 -128.2 175.4 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.8 m -131.33 124.44 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.38 -66.25 0.67 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.15 40.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 9.3 t -107.81 5.98 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' SER . 88.0 t80 60.15 11.7 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 1.8 tt -145.26 95.26 2.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 92.54 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.7 mt-10 -145.97 152.37 39.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -116.09 162.78 16.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 45.3 m-85 -157.03 157.24 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.19 142.62 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -150.72 157.09 42.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.597 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -82.01 108.51 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.623 ' HA ' HG22 ' A' ' 81' ' ' VAL . 11.5 p -87.36 131.77 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -119.82 111.46 18.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 21' ' ' VAL . 5.5 mtp180 -104.72 149.81 25.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.506 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.3 t0 -147.1 122.26 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.937 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -92.77 -9.79 39.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -96.32 -23.56 16.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.06 -21.64 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.586 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 5.9 mtt180 60.72 37.13 19.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.04 161.67 33.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.665 HG13 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -130.68 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.54 142.35 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 70' ' ' VAL . 37.7 t -137.53 123.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.5 m -110.75 157.3 19.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.023 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -68.78 132.71 47.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.023 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -122.29 -56.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -133.28 -1.2 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -52.12 -119.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.99 3.67 5.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' HA ' HD11 ' A' ' 83' ' ' LEU . 0.1 OUTLIER 34.09 41.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.49 -56.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.52 124.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.5 OUTLIER -176.46 114.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -133.3 145.93 50.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -144.52 109.63 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.9 144.85 16.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.783 ' CH2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -139.5 128.03 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -137.12 141.49 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.804 ' CD1' HD13 ' A' ' 17' ' ' LEU . 17.1 p90 -140.16 143.61 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.1 mtm -148.58 168.68 10.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -159.08 89.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.07 -134.65 13.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.48 -23.53 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.24 165.63 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 147.9 27.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -108.81 132.4 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.559 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 59.1 t -119.71 140.79 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.7 124.96 39.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.65 113.67 18.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.02 143.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.854 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.5 pp -127.67 125.73 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -136.26 124.52 23.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.854 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.7 p90 -155.62 157.36 36.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -111.92 121.58 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.0 m-85 -99.07 174.2 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -51.64 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.73 129.36 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.66 -46.52 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.04 -23.94 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.503 ' OD1' ' CG ' ' A' ' 2' ' ' HIS . 1.2 t0 -60.61 -51.89 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.03 -38.56 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -46.15 89.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.8 mt -75.29 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.602 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -60.87 -14.02 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.37 -53.72 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.23 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 123' ' ' LEU . 6.9 p30 -68.65 -27.76 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -41.56 -41.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.89 -47.68 82.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.5 mmt85 -58.95 -50.95 72.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.86 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.858 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.87 -32.32 73.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.92 -45.81 79.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.495 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 9.2 pttt -67.32 -39.39 85.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.858 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -63.58 -41.8 98.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.713 HG23 ' HD3' ' A' ' 8' ' ' LYS . 67.5 mt -64.02 -40.12 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.76 81.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.4 -51.59 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 10' ' ' LEU . 19.5 t80 -58.59 -40.78 84.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.97 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.44 -37.38 65.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -64.26 -45.3 88.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.34 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.45 -32.18 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -66.74 -38.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -55.24 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -63.58 -29.29 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.75 -57.54 19.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG2' ' CD ' ' A' ' 90' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.483 0.182 . . . . 0.0 111.055 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 120' ' ' ASP . 50.2 m80 -144.17 119.07 9.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 19.7 ttt180 -117.95 124.98 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.637 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -120.74 128.39 52.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.95 136.28 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 108' ' ' PHE . 2.0 t -135.68 128.53 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -124.39 128.14 48.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' HG12 ' A' ' 135' ' ' ILE . 8.8 pttt -132.74 157.89 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.524 ' O ' HD23 ' A' ' 10' ' ' LEU . 14.1 p -137.66 121.71 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 9' ' ' VAL . 15.9 mt -121.78 117.03 30.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.02 65.27 6.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -135.35 168.86 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -58.35 161.43 7.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.99 -5.14 16.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.8 -43.0 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -51.47 -32.11 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 97' ' ' PHE . 11.3 mt -64.67 -41.81 95.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.04 -33.47 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.3 mt -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.109 HG22 ' CE2' ' A' ' 97' ' ' PHE . 93.9 t -61.36 -31.01 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -106.56 27.02 18.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.74 -10.85 40.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.683 ' HB ' HG21 ' A' ' 39' ' ' THR . 35.8 m -82.18 -13.56 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.37 20.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -117.69 -109.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.654 ' CD2' ' O ' ' A' ' 27' ' ' TYR . 41.7 p90 36.77 93.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 91.92 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.798 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 62.84 170.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.786 ' O ' HG13 ' A' ' 31' ' ' VAL . 3.1 t80 59.37 116.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG13 ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -174.45 70.68 0.31 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.966 ' CE2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.41 -30.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 107.966 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.626 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -123.6 -166.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.626 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -139.57 -90.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.2 150.62 18.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -156.46 150.35 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.67 135.14 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.683 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.7 p -134.81 119.33 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.7 -178.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 65.0 90.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.18 -143.27 5.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -130.8 156.73 44.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 134.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' VAL . 14.0 t0 -128.14 156.01 43.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -40.58 124.01 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.764 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . 39.43 34.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 46' ' ' GLY . 55.5 t -147.46 158.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.79 134.23 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.685 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.3 m -135.02 119.53 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.74 172.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 138.53 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.607 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -117.76 111.66 19.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 103.49 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.37 150.46 28.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.0 mt-30 -124.66 174.36 7.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.479 ' C ' HG21 ' A' ' 35' ' ' THR . 1.5 m -133.81 127.0 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.69 -57.68 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.51 33.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 14.9 m -108.61 6.02 25.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 52.6 t80 59.18 13.32 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.48 101.8 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 91.5 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 57' ' ' VAL . 7.5 mt-10 -145.6 137.58 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.19 150.74 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -142.18 144.73 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' THR . . . -122.14 142.18 50.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.924 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -151.86 162.31 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.86 114.6 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 51' ' ' VAL . 11.3 p -96.7 140.57 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -136.51 122.81 20.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.652 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -119.64 153.74 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 48' ' ' VAL . 46.4 t0 -145.2 126.09 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.764 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -91.21 -11.82 37.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.72 -23.6 19.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.73 -24.96 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 39.34 10.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.6 160.08 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.798 ' CG1' HG13 ' A' ' 21' ' ' VAL . 9.7 mm -131.46 138.99 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -141.29 139.71 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 70' ' ' VAL . 72.6 t -136.12 133.27 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.8 m -123.03 156.92 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.924 ' HA ' HG22 ' A' ' 68' ' ' THR . 5.7 tp -68.04 136.19 53.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -124.31 -56.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -129.87 -3.6 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -58.72 -145.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' LYS . 18.4 Cg_endo -74.97 106.77 2.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.424 ' HA ' HD21 ' A' ' 83' ' ' LEU . 35.6 m-85 -66.07 67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -147.6 -47.51 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' CD ' ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER 168.49 124.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.725 HD21 HG21 ' A' ' 68' ' ' THR . 0.2 OUTLIER -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 91' ' ' LEU . 5.4 m-80 -161.49 147.09 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -143.64 153.7 42.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -159.42 142.7 8.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 30.1 m95 -131.29 108.15 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -99.95 146.44 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 1.109 ' CE2' HG22 ' A' ' 21' ' ' VAL . 15.4 m-85 -142.8 103.33 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.4 141.22 40.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.01 151.28 39.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -152.94 79.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.64 -127.27 9.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.87 -19.18 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -115.36 167.63 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.54 147.57 41.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.468 ' CD ' ' HG2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -112.43 140.35 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.407 HG22 ' HD1' ' A' ' 97' ' ' PHE . 70.2 t -118.39 131.09 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG2' ' CD ' ' A' ' 105' ' ' ARG . 3.1 mt-10 -104.96 119.41 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -109.11 106.95 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 94' ' ' GLY . 16.9 m -101.87 116.93 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.682 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -117.05 115.77 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 14.1 mt-10 -136.05 107.67 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -143.49 156.61 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.89 123.76 44.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.122 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 5.3 m-85 -94.5 173.91 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -53.71 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -85.81 118.06 25.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.54 -30.91 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.03 -52.03 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 123' ' ' LEU . 92.6 mt -64.99 -25.0 67.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.529 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -58.14 -51.03 71.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.655 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.63 -38.02 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -48.37 81.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.122 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.8 mt -75.23 -46.77 31.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.61 -12.98 37.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -83.12 -54.02 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 14.5 p30 -72.04 -14.97 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.4 OUTLIER -47.56 -45.74 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 3.2 t0 -60.16 -42.38 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -60.77 -50.85 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.06 70.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.21 -29.23 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.24 -43.85 45.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -71.01 -33.74 70.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -70.68 -39.46 73.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.486 HG12 ' CD ' ' A' ' 8' ' ' LYS . 54.8 mt -67.52 -37.23 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.66 67.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.575 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 43.6 t -64.78 -51.72 60.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 86.2 t80 -62.8 -42.74 99.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -51.71 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.73 88.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.13 -35.12 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.88 91.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.5 tt0 -72.19 -32.6 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -67.55 -38.06 83.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 141' ' ' ARG . 1.5 tt -74.36 -55.17 6.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -65.03 -24.44 67.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -91.62 33.92 4.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 113' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.513 0.197 . . . . 0.0 111.024 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.466 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -92.01 157.96 16.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -125.14 127.04 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.636 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.4 OUTLIER -92.46 127.88 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.595 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.3 138.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.51 116.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 ' CG2' ' HD3' ' A' ' 105' ' ' ARG . 1.8 m -110.94 111.58 22.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -117.35 159.08 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.95 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.8 p -133.11 129.13 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.95 HD23 ' O ' ' A' ' 9' ' ' VAL . 14.9 mt -132.05 121.35 17.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 60.22 5.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.97 178.31 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -77.09 160.19 76.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.98 -1.28 11.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.13 -43.13 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.68 -24.1 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.896 HD22 ' CD1' ' A' ' 97' ' ' PHE . 5.1 mt -71.35 -40.37 70.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -36.7 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -30.17 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.806 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 2.6 mt -72.69 -37.51 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 79' ' ' ILE . 97.8 t -61.5 -27.19 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -113.5 14.83 22.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 21.1 t0 -52.67 -31.05 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.902 ' CG2' HG21 ' A' ' 39' ' ' THR . 28.1 m -64.56 -11.83 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -145.72 18.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -124.16 -135.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.611 ' CD1' ' OD2' ' A' ' 23' ' ' ASP . 4.8 m-85 51.45 171.49 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo -75.04 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER 162.95 -30.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 13.8 t80 -39.42 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.826 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 3.4 m 27.33 83.47 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.2 Cg_endo -75.01 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.826 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.96 -20.91 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.611 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.8 tt -129.39 -178.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -127.65 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.439 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 35' ' ' THR . . . -100.37 154.66 19.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.26 151.34 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 0.763 . . . . 0.0 110.954 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.87 139.68 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.902 HG21 ' CG2' ' A' ' 24' ' ' VAL . 51.0 p -133.86 119.65 19.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER 179.89 -175.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 t-20 61.5 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.52 -150.57 12.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.84 160.28 31.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.05 132.95 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' VAL . 5.4 t70 -129.03 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -39.48 125.22 2.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 38.84 35.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 46' ' ' GLY . 52.6 t -148.19 155.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.454 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -151.36 132.5 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.862 HG23 ' HG3' ' A' ' 71' ' ' ARG . 85.3 m -133.21 119.77 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.457 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.5 m -152.69 172.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -81.62 149.39 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.21 107.91 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.83 101.41 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 151.4 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' C ' ' CG2' ' A' ' 35' ' ' THR . 20.5 mt-30 -125.73 168.77 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -127.43 126.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.66 -81.85 1.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -81.73 43.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -108.7 7.17 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 12.0 t80 62.59 9.01 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.2 tt -142.59 94.62 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.94 93.29 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 57' ' ' VAL . 23.0 mt-10 -145.18 153.82 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -106.99 147.52 29.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.4 m-85 -143.87 155.18 44.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.71 142.25 33.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -149.88 156.5 41.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.58 114.98 20.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.688 ' HA ' HG22 ' A' ' 81' ' ' VAL . 13.2 p -98.27 140.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.862 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.3 123.57 28.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.884 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.3 ptt85 -119.91 148.76 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' CG ' HG22 ' A' ' 48' ' ' VAL . 45.7 t0 -142.96 119.83 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -87.46 -6.21 58.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -23.32 16.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.58 -22.64 12.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 63.0 37.54 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.79 161.76 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.884 HD13 ' HA ' ' A' ' 72' ' ' ARG . 11.6 mm -134.74 137.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -141.84 139.4 32.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 70' ' ' VAL . 57.8 t -135.68 145.27 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -133.46 162.95 30.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.958 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -69.04 134.31 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 85' ' ' TYR . 4.4 tt -123.45 -56.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -127.85 -4.57 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.74 -142.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' LYS . 18.5 Cg_endo -75.01 110.65 3.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.08 73.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -161.91 -48.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 171.18 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 68' ' ' THR . 1.3 tt -175.52 112.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.1 163.8 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.443 HD22 ' HB ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER -152.67 151.33 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.26 143.6 10.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.529 ' HD1' HG21 ' A' ' 79' ' ' ILE . 36.6 m95 -126.59 107.31 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.78 146.42 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.896 ' CD1' HD22 ' A' ' 17' ' ' LEU . 1.2 m-85 -139.12 118.14 12.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -135.67 136.96 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 98' ' ' MET . 18.1 Cg_endo -75.05 151.75 39.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.5 65.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.0 -134.23 11.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.49 -20.11 44.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.48 164.95 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.44 147.7 43.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.48 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 38.0 ttm-85 -112.02 136.91 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -116.51 127.69 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.74 116.96 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' ' 134' ' ' LEU . 3.3 m-30 -106.16 107.77 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' VAL . 20.8 m -107.8 115.76 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -126.3 126.61 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 110' ' ' ILE . 6.7 pt-20 -136.14 132.64 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 110' ' ' ILE . 4.7 p90 -149.06 166.1 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -126.34 119.79 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.044 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 11.0 m-85 -98.02 172.63 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -52.22 5.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.3 m -88.19 116.55 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.49 -29.37 49.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.81 -52.74 26.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.86 -26.41 68.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.461 ' OD2' ' NE2' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -56.93 -50.79 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.47 -36.88 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -47.91 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.044 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 6.7 mt -75.16 -42.29 56.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.636 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -64.68 -16.47 62.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.1 -53.43 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.646 HD21 HD23 ' A' ' 123' ' ' LEU . 6.2 p30 -68.76 -29.12 67.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -41.56 -42.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.27 -46.38 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' ASN . 17.4 mmt85 -59.03 -48.69 80.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -57.75 -46.73 84.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.48 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.11 -45.94 38.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.63 ' HB2' ' HZ3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -68.81 -35.33 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.636 HD13 ' CH2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.91 -41.83 90.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 8' ' ' LYS . 55.5 mt -62.77 -45.31 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.05 77.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 15.1 t -61.37 -50.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.806 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 50.8 t80 -61.22 -38.55 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -51.95 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.79 73.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -36.67 84.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.55 94.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.72 -32.69 65.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -37.92 79.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.41 -52.16 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -67.42 -31.55 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -51.27 -57.24 11.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 109.279 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.497 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.523 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 50.4 m80 -49.08 118.87 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -113.42 120.39 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.66 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.74 131.88 54.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.82 136.38 37.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.21 109.29 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -113.14 126.38 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.7 162.84 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 10' ' ' LEU . 22.1 t -136.31 125.84 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 138' ' ' PHE . 12.1 mt -129.32 121.93 20.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.96 55.62 3.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.6 m-85 -119.75 -178.84 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -84.5 162.02 52.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.9 -46.58 43.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.15 -29.14 29.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' ' 14' ' ' PRO . 5.9 mt -65.88 -40.62 91.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -37.98 8.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.8 mt-10 -75.31 -28.45 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 ' CH2' ' A' ' 95' ' ' TRP . 2.0 mt -77.64 -42.93 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 79' ' ' ILE . 69.5 t -58.14 -33.31 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.56 8.91 24.12 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' OD1' ' CG ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -43.45 -40.16 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.719 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.0 m -43.44 -25.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -127.56 -45.64 1.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -44.33 -68.81 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CG ' ' OD1' ' A' ' 23' ' ' ASP . 3.1 m-85 -37.5 121.34 0.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -79.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -111.95 -152.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' C ' HG23 ' A' ' 31' ' ' VAL . 1.2 t80 63.5 -133.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.636 HG23 ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 57.17 70.18 1.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.03 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -55.54 -18.28 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -125.79 178.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -130.27 -91.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 35' ' ' THR . . . -93.85 153.07 21.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.1 pmm? -159.92 151.12 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.0 135.2 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.719 HG21 ' CG2' ' A' ' 24' ' ' VAL . 41.0 p -131.43 117.99 19.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -179.36 178.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.46 100.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.07 -144.03 7.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 159.06 43.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.5 p -131.14 123.35 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.63 133.2 36.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.32 -133.12 8.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.08 33.54 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 ' OD1' ' A' ' 73' ' ' ASP . 29.2 t -131.9 147.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.572 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.39 127.63 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.803 HG23 ' HG3' ' A' ' 71' ' ' ARG . 63.8 m -127.46 126.48 42.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.8 m -151.75 171.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -75.5 148.09 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.16 106.83 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.98 100.44 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.76 157.17 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.491 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.2 mt-30 -127.95 179.83 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' C ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -135.12 122.9 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.74 -52.32 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.7 26.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 m -107.08 6.84 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 25.2 t80 59.26 14.47 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.45 106.69 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 91.35 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 12.6 mt-10 -145.79 158.5 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.9 150.91 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 6.9 m-85 -153.48 157.76 40.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.84 143.46 50.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -144.44 153.61 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.382 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -80.07 110.47 15.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.936 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -88.13 135.17 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.803 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtt180 -127.11 110.22 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.2 ptt180 -106.84 151.84 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.496 ' OD1' HG22 ' A' ' 48' ' ' VAL . 6.6 t0 -145.43 118.84 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 3.9 ptpt -91.33 -9.01 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -97.63 -24.16 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.16 -24.75 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 64.13 37.14 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.69 164.24 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.964 HD11 HG13 ' A' ' 21' ' ' VAL . 14.5 mm -130.72 139.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -146.37 139.43 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.936 HG22 ' HA ' ' A' ' 70' ' ' VAL . 24.5 t -138.08 138.86 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -134.92 172.72 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.581 HD12 ' CD1' ' A' ' 88' ' ' PHE . 1.1 tt -58.27 137.96 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.914 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.4 tt -124.68 -59.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.914 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.2 -32.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.63 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -28.77 143.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.14 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.64 ' CE2' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -64.6 163.08 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -82.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.65 123.04 33.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.64 HD22 ' CE2' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -152.34 119.83 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -144.49 129.24 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -135.39 108.95 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.25 149.48 17.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.985 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -142.72 129.4 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.54 154.57 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 17' ' ' LEU . 7.5 p90 -148.52 141.6 24.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.42 166.04 16.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.79 32.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -158.29 89.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.26 -133.51 12.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.51 -21.06 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.82 167.87 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.62 147.81 26.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.462 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 6.4 tmm_? -111.48 127.64 55.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.985 HG11 ' CH2' ' A' ' 95' ' ' TRP . 58.1 t -121.02 141.63 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 6.8 mt-10 -127.24 123.37 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.7 m -97.85 120.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.741 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -109.32 116.87 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.16 114.87 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -149.45 154.35 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.507 ' CB ' ' SD ' ' A' ' 1' ' ' MET . . . -102.98 136.33 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.107 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.4 OUTLIER -114.05 166.27 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -54.33 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -86.59 128.78 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.43 -38.94 74.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.73 -46.89 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.09 -25.26 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.523 ' CG ' ' CE1' ' A' ' 2' ' ' HIS . 1.2 t0 -56.95 -51.18 70.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -72.46 -39.58 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -46.35 90.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.107 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -74.62 -54.03 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -57.0 -17.34 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.25 -52.95 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.557 HD21 HD23 ' A' ' 123' ' ' LEU . 3.1 p30 -68.1 -22.48 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.1 -39.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -61.62 -47.6 84.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 126' ' ' ASN . 16.4 mmt180 -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.58 -43.08 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 135' ' ' ILE . . . -64.27 -30.12 71.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.87 88.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 3.2 ptpt -70.86 -46.13 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 0.807 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.82 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -58.2 -43.51 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 131' ' ' ALA . 27.8 mt -60.49 -45.1 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.23 70.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.482 ' SG ' ' CD2' ' A' ' 30' ' ' PHE . 49.3 t -61.36 -51.47 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.784 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.9 t80 -63.4 -41.46 98.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.37 -51.28 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.28 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -35.93 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -65.3 -43.27 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.93 -32.5 63.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -69.31 -33.72 73.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -57.39 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -64.8 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 37.86 46.93 1.77 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 109.325 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.718 ' HG2' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.54 0.21 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.605 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 8.8 m-70 -41.82 118.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 9.1 tmm_? -129.38 144.09 51.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.502 ' ND1' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -132.17 128.22 37.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.602 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.99 148.13 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.98 103.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -108.65 133.5 52.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.659 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -139.59 162.15 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.611 ' C ' HD23 ' A' ' 10' ' ' LEU . 47.7 t -137.08 114.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD11 ' HE2' ' A' ' 8' ' ' LYS . 10.5 mt -116.18 119.75 36.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -74.97 58.22 4.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -139.17 -174.01 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -85.24 161.22 52.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.0 3.13 5.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.94 -47.77 76.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -54.36 -26.87 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -68.28 -40.02 81.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.71 -37.0 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.19 -28.17 42.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.705 ' CD1' ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -76.17 -34.14 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 79' ' ' ILE . 87.5 t -60.34 -38.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -102.08 22.63 37.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.6 t70 -65.1 -9.95 26.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.768 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.8 m -78.74 -17.8 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.19 18.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.81 -116.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.8 p90 36.52 95.93 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -12.42 21.53 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 1.9 tttm 169.88 90.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.848 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER 162.14 92.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.059 HG12 ' CH2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER 173.15 64.26 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.03 -39.92 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.059 ' CH2' HG12 ' A' ' 31' ' ' VAL . 3.5 p90 -51.25 -23.1 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.588 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -119.62 171.66 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -121.08 -94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.575 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -87.96 150.31 22.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 36.2 tpp -159.21 149.06 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -168.0 135.71 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.768 HG21 ' HB ' ' A' ' 24' ' ' VAL . 38.6 p -135.59 122.26 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -179.6 177.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 108.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.6 92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.08 -140.19 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.16 158.14 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.0 p -129.88 124.3 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.54 133.03 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.44 -132.14 5.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.983 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.5 35.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CG ' ' A' ' 73' ' ' ASP . 29.1 t -134.98 148.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.404 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.47 135.25 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.411 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 6.5 m -132.33 124.77 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.722 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -151.73 172.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' THR . 1.3 m-20 -71.93 146.04 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -128.41 108.63 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.68 100.45 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -108.41 155.34 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.7 mt-30 -128.25 175.47 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 60' ' ' SER . 4.0 m -136.18 126.28 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.01 -81.09 1.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.74 48.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 36.4 m -109.91 5.14 22.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 60' ' ' SER . 53.7 t80 63.74 8.12 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.25 94.26 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 93.21 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -145.07 146.52 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -106.58 150.84 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.92 146.05 33.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.34 140.96 51.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.898 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.15 152.45 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.682 ' HG3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -75.82 109.2 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 81' ' ' VAL . 3.9 p -85.21 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -129.75 121.14 26.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -120.02 148.21 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.8 t0 -142.13 116.93 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.983 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -83.12 -8.58 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -96.62 -23.41 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -102.31 -22.49 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 59.68 35.77 22.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.403 ' CB ' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -132.44 167.39 20.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 21' ' ' VAL . 1.3 tp -125.3 146.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -152.87 138.26 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 70' ' ' VAL . 70.1 t -138.76 146.82 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 18.8 m -133.26 166.34 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.9 mt -65.09 134.83 54.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 85' ' ' TYR . 3.5 tt -123.05 -56.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.715 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -132.01 -4.73 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.01 -156.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 96.76 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -55.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.02 122.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.553 HD23 ' C ' ' A' ' 91' ' ' LEU . 4.9 tt -176.71 128.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -147.31 154.44 40.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 81' ' ' VAL . 15.7 m120 -144.19 119.02 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.19 156.4 26.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -150.49 149.17 29.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 78' ' ' SER . 1.7 mtt180 -138.2 156.0 48.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 17' ' ' LEU . 5.1 m-30 -90.06 155.48 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -154.21 94.97 2.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -74.99 150.88 38.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -153.47 70.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 -137.78 13.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.29 -28.51 61.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.25 165.02 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -126.11 147.12 49.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . 0.7 OUTLIER -116.01 130.04 56.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 57.6 t -109.02 141.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.9 124.21 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -124.05 111.35 15.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.63 125.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.441 ' C ' HD12 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -114.72 130.86 68.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 42.6 mt-10 -134.66 143.17 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.474 ' HB2' HD12 ' A' ' 91' ' ' LEU . 7.7 p90 -169.05 160.15 9.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.718 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -119.49 121.65 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.948 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -101.09 166.83 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.67 -54.92 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -76.31 128.21 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.35 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.7 -51.47 62.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 123' ' ' LEU . 88.9 mt -66.15 -23.59 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.605 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -58.82 -49.76 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.9 -37.05 41.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.948 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.1 mt -75.09 -46.36 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.52 -12.01 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -84.14 -53.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.61 ' C ' ' ND2' ' A' ' 126' ' ' ASN . 0.1 OUTLIER -70.86 -17.12 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.502 ' CG1' ' ND1' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -52.44 -44.3 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . 9.3 t0 -63.94 -34.16 77.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -68.54 -46.71 68.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -60.89 -51.24 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.487 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -61.77 -37.95 86.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.33 97.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.67 -37.48 87.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.635 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -62.45 -37.36 85.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 131' ' ' ALA . 10.4 mm -69.4 -39.84 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.27 76.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 2.7 t -67.43 -51.42 51.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 1.6 t80 -57.19 -43.58 82.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.89 -51.61 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.1 75.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -37.09 85.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.58 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.5 -32.46 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -69.68 -37.27 76.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -73.34 -54.75 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -63.67 -29.31 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.628 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.41 -58.23 14.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.518 0.199 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -146.01 158.94 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 8.0 ttp180 -129.59 117.5 20.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -94.02 131.84 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.624 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 t -108.25 145.91 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.91 118.14 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -124.17 120.07 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 165.13 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 p -133.71 121.04 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 9' ' ' VAL . 20.2 mt -120.5 116.69 31.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 61.63 5.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.803 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.71 175.33 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 p -62.51 158.85 46.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -17.75 19.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.7 -39.33 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -50.46 -24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 97' ' ' PHE . 10.2 mt -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -39.44 8.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.65 -28.99 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mt -73.27 -41.47 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 79' ' ' ILE . 48.2 t -60.57 -40.06 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -102.62 22.02 38.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.142 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.34 -13.69 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 39' ' ' THR . 10.7 m -82.84 -17.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 5.5 t70 -126.34 0.71 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.734 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -116.52 -87.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.734 ' O ' ' O ' ' A' ' 26' ' ' ALA . 35.0 p90 44.87 159.26 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -100.46 10.16 41.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 20.2 t80 -138.48 106.32 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.878 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 5.1 m -142.52 84.82 10.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.04 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.878 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.959 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 35' ' ' THR . 1.5 tt -129.81 -175.33 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.61 HG21 ' C ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -135.47 -90.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.586 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -97.15 149.74 19.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 41.3 tpp -150.76 150.13 30.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -162.38 136.65 6.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 24' ' ' VAL . 30.5 p -135.72 115.71 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.68 -177.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.6 m-20 68.24 86.61 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -139.81 3.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 158.24 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.9 p -129.27 121.58 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -131.04 131.11 44.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.39 -131.09 9.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.968 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -94.94 36.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 73' ' ' ASP . 23.7 t -136.22 148.59 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -145.41 128.47 16.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 24.1 m -126.15 125.24 42.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.0 m -152.06 172.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 137.22 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -115.27 108.56 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -95.17 101.85 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.65 149.12 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 35' ' ' THR . 4.9 mt-30 -121.95 179.07 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.61 ' C ' HG21 ' A' ' 35' ' ' THR . 3.6 m -137.69 127.55 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.75 -73.22 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.23 41.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 12.5 m -108.62 6.5 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 37.1 t80 60.93 10.34 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -142.81 94.9 2.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 93.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.31 161.09 40.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 9.6 pttp -124.98 148.52 48.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -145.52 164.47 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.57 142.97 33.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.863 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -147.31 152.64 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.372 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.28 108.18 7.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.4 p -92.77 129.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -116.14 126.22 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.509 ' CB ' HD11 ' A' ' 79' ' ' ILE . 2.3 ptm180 -123.17 149.85 44.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.469 ' CG ' HG22 ' A' ' 48' ' ' VAL . 44.6 t0 -146.85 121.01 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.968 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -6.88 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.26 -23.69 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.91 -23.72 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 64.35 39.84 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.98 158.45 42.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -134.87 141.78 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.57 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 68' ' ' THR . 21.4 t -135.33 134.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.4 m -129.85 164.81 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.886 HD11 ' H ' ' A' ' 91' ' ' LEU . 2.3 mp -60.44 143.05 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.36 -59.85 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.587 ' CB ' HD13 ' A' ' 84' ' ' LEU . 83.7 t80 -133.89 -32.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -27.18 117.99 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' A' ' 88' ' ' PHE . 18.4 Cg_endo -74.99 65.34 6.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 86' ' ' GLY . 0.6 OUTLIER -129.69 -173.41 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -73.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -135.74 143.23 45.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.886 ' H ' HD11 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 150.12 51.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.46 158.31 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.54 147.31 10.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.701 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 79.9 m95 -118.37 110.1 17.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -104.35 146.24 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CE2' HG22 ' A' ' 21' ' ' VAL . 41.4 m-85 -135.5 124.88 24.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.21 116.42 9.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.01 153.44 41.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -153.22 70.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.9 -143.61 16.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.39 -28.73 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.74 167.66 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -124.4 147.43 48.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -110.12 129.68 55.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 97' ' ' PHE . 59.3 t -119.61 137.77 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.46 123.57 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.701 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 7.0 t80 -111.56 118.42 35.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.86 125.18 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -118.86 120.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -136.63 122.33 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HE1' ' HE2' ' A' ' 2' ' ' HIS . 4.7 p90 -151.85 163.3 39.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.76 121.11 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.046 ' CE1' HD13 ' A' ' 123' ' ' LEU . 10.6 m-85 -96.47 172.7 7.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -47.28 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -92.16 118.31 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.22 -28.3 62.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.03 -51.52 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 123' ' ' LEU . 98.5 mt -65.82 -25.01 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.56 -51.66 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.5 -36.63 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.64 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.046 HD13 ' CE1' ' A' ' 114' ' ' PHE . 3.3 mt -74.8 -44.23 50.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -67.24 -12.36 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.51 -53.73 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.9 p30 -71.82 -20.76 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -43.1 -43.93 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 2.6 t0 -62.21 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 19.1 mmt180 -61.63 -52.54 63.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.95 72.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.94 -33.07 74.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.81 -44.77 88.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.496 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 1.1 pttt -68.89 -39.3 79.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.97 -38.93 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.74 76.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 19.1 t -64.89 -51.23 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.563 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t80 -63.02 -42.1 99.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -48.41 80.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.55 -42.23 82.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -35.22 80.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.73 94.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.82 -32.94 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.79 -34.36 75.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.56 -55.88 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.61 -28.88 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -56.0 -57.04 20.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.499 0.19 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -52.09 131.41 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.613 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -128.42 118.01 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.658 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.1 OUTLIER -104.32 128.31 52.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.56 143.85 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.14 139.39 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.69 132.13 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.785 ' HD3' HG23 ' A' ' 135' ' ' ILE . 22.7 ttpt -136.68 152.09 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 10' ' ' LEU . 8.1 p -138.49 122.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 9' ' ' VAL . 37.3 mt -122.67 119.65 28.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.01 59.91 5.32 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.2 173.88 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -63.81 160.52 44.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.766 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.18 -45.12 77.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.5 -29.3 24.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.8 mt -66.72 -40.9 88.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.64 -36.32 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.5 -30.54 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -72.39 -39.58 67.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.734 HG22 ' CE2' ' A' ' 97' ' ' PHE . 57.5 t -60.28 -30.42 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -107.33 24.99 23.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.49 -10.27 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' ' 39' ' ' THR . 23.2 m -78.21 -16.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.04 21.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.55 -111.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 34.7 p90 35.17 86.15 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.96 19.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' NZ ' ' OE1' ' A' ' 144' ' ' GLN . 0.6 OUTLIER -102.82 167.05 10.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.17 153.36 15.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.6 m -135.97 86.25 26.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.972 ' CZ2' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.05 -20.25 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 108.03 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 35' ' ' THR . 1.9 tt -131.07 -178.38 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -123.69 -90.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.556 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -104.01 150.05 17.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 44.6 tpp -156.58 150.99 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.54 134.82 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.773 HG21 ' HB ' ' A' ' 24' ' ' VAL . 24.4 p -135.25 123.75 23.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.09 179.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.023 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 0.8 OUTLIER 63.78 93.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.25 -148.59 6.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.77 150.95 52.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.36 121.86 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.41 128.28 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.8 -126.97 14.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.866 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -96.7 37.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.7 t -136.6 147.79 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -146.65 116.59 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.481 ' CG2' ' CD ' ' A' ' 69' ' ' ARG . 9.3 m -115.79 134.77 54.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.73 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.94 138.94 44.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -119.02 106.73 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -99.0 101.45 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.66 153.06 23.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.507 ' C ' ' CG2' ' A' ' 35' ' ' THR . 18.9 mt-30 -127.33 172.41 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.55 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -132.86 125.03 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.6 -54.36 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -7.87 44.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 46.3 m -84.92 5.78 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 14.1 t80 59.53 12.41 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -125.88 96.04 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 92.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 14.1 mt-10 -145.47 157.69 43.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -125.95 147.06 49.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 64' ' ' GLU . 7.7 m-85 -151.54 152.5 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -125.22 142.9 51.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.8 p -145.15 160.12 41.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' CD ' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.38 111.43 17.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.646 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 3.7 p -98.54 120.82 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' O ' HD13 ' A' ' 79' ' ' ILE . 5.3 mtt180 -106.59 128.7 54.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -115.52 150.48 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.566 ' CG ' HG22 ' A' ' 48' ' ' VAL . 2.0 t0 -146.62 131.47 18.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.866 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -102.84 -12.58 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -23.8 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.0 -21.52 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.15 159.88 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.785 HD11 ' HD2' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -129.17 144.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -138.16 141.41 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 70' ' ' VAL . 53.1 t -137.36 122.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.3 m -117.92 152.97 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -68.63 134.87 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.71 -60.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.675 ' HB2' HD13 ' A' ' 84' ' ' LEU . 9.9 t80 -134.36 -4.8 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 66' ' ' PHE . . . -54.26 -111.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.697 ' O ' HD11 ' A' ' 83' ' ' LEU . 18.2 Cg_endo -74.98 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -123.08 45.15 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -150.01 -58.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -179.7 138.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.428 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -173.18 117.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -141.91 141.65 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -133.52 132.11 40.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -134.15 138.47 10.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 108' ' ' PHE . 23.2 m95 -128.59 108.66 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -111.06 145.97 37.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 17' ' ' LEU . 16.8 m-85 -142.81 98.87 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.34 129.77 25.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.05 36.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -145.82 63.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.41 -132.48 11.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.69 -20.64 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.69 158.38 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.564 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.94 148.46 33.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -108.21 133.32 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 97' ' ' PHE . 90.9 t -121.09 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -108.05 118.22 36.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 1.5 m-30 -103.93 106.78 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' CA ' ' A' ' 94' ' ' GLY . 1.1 m -106.28 118.95 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.733 ' C ' HD12 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -119.34 133.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.93 126.99 33.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.414 ' HB2' ' NE2' ' A' ' 2' ' ' HIS . 1.5 m-85 -134.11 171.19 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -141.44 121.54 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 41.1 m-85 -126.9 160.94 29.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -42.83 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -83.82 109.97 17.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.43 -25.33 24.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.12 -56.58 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.9 -24.29 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.0 OUTLIER -61.82 -51.57 67.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.51 -34.28 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -49.86 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.792 HD23 HD21 ' A' ' 126' ' ' ASN . 9.2 mt -76.11 -47.19 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.658 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -61.98 -15.37 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.87 -53.68 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.792 HD21 HD23 ' A' ' 123' ' ' LEU . 12.0 p30 -67.66 -25.22 65.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -46.76 -41.99 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.86 -43.11 97.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -61.07 -46.86 88.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.23 -29.94 70.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.33 -45.3 48.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.28 -35.0 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.87 -41.98 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.785 HG23 ' HD3' ' A' ' 8' ' ' LYS . 19.5 mt -63.3 -41.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.59 78.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.8 t -63.37 -52.0 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.243 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 84.3 t80 -58.62 -38.1 77.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -64.0 -51.82 62.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.08 77.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 1.091 HH21 HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.33 93.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.7 OUTLIER -71.63 -32.64 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.418 ' OE1' ' NZ ' ' A' ' 29' ' ' LYS . 16.9 tt0 -67.21 -36.6 82.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.091 HD12 HH21 ' A' ' 141' ' ' ARG . 0.6 OUTLIER -77.39 -54.35 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -63.8 -30.13 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -57.1 -56.15 26.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.513 0.197 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.424 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -146.81 158.86 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -122.89 119.29 30.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -96.33 131.8 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -110.64 145.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -145.88 131.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -126.07 120.69 30.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -125.47 160.02 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.897 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.0 p -136.23 127.69 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.897 HD23 ' O ' ' A' ' 9' ' ' VAL . 11.0 mt -127.49 114.38 21.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.95 61.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CD2' ' HB1' ' A' ' 142' ' ' ALA . 15.2 m-85 -134.42 177.24 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -65.65 160.71 58.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.566 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -11.03 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.09 -45.09 71.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mm-40 -50.71 -23.75 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.4 mt -64.78 -48.17 75.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -34.83 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.27 -29.13 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.9 mt -75.7 -46.77 29.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.984 HG13 ' CG1' ' A' ' 79' ' ' ILE . 88.7 t -61.28 -37.94 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.55 23.1 33.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.631 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 24.4 t0 -65.1 -11.55 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.829 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.7 m -85.06 -11.22 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.78 21.12 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -119.96 -102.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 12.1 m-85 57.98 132.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -80.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.81 70.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' HD3' ' A' ' 32' ' ' PRO . 20.0 t80 179.84 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 31' ' ' VAL . 20.0 m 27.16 85.38 0.12 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.564 1.823 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 1.1 p-90 -44.97 -26.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.543 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -119.44 167.45 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -126.05 -91.08 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.3 154.42 20.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -159.33 151.49 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.05 136.03 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.829 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.3 p -135.49 121.15 19.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.3 -175.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 107.972 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 m-20 61.17 95.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.49 -140.05 5.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 157.66 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.583 HG23 ' OG ' ' A' ' 49' ' ' SER . 7.3 p -129.33 122.72 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -133.8 129.76 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.94 -132.72 17.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.816 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.63 28.21 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.534 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.0 t -127.06 148.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.583 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -143.44 130.12 20.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 71' ' ' ARG . 88.8 m -127.47 122.9 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -152.23 172.76 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.512 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.98 143.81 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.705 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -126.48 108.12 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -97.95 101.05 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.0 154.66 19.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.456 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.6 mt-30 -125.51 178.94 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.549 ' C ' HG21 ' A' ' 35' ' ' THR . 5.5 m -138.47 122.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.13 -42.94 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -85.26 14.93 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 48.1 m -101.11 6.28 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 59.3 t80 58.6 13.98 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -136.66 125.58 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 93.15 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 12.6 mt-10 -144.58 140.94 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 147.11 38.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.644 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -146.9 152.02 37.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 142.42 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.663 HG21 HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.2 154.63 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -76.84 109.15 10.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.705 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 p -90.3 133.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 50' ' ' THR . 12.8 mtp85 -125.86 114.32 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -112.37 150.99 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.534 ' CG ' HG22 ' A' ' 48' ' ' VAL . 26.8 t0 -147.21 118.56 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.816 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -89.54 -7.19 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -96.32 -24.35 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.57 -23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.35 36.84 8.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.51 159.35 38.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.984 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.47 143.85 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.61 141.23 26.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 70' ' ' VAL . 59.8 t -132.22 137.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -135.5 173.87 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' CE1' ' A' ' 88' ' ' PHE . 2.8 tt -61.59 137.07 58.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.89 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.8 tt -123.99 -59.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.89 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -136.26 -33.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.672 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -27.84 138.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.55 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.842 ' CE2' HD22 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -63.86 166.57 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -77.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -103.34 118.32 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -149.95 113.52 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -140.75 143.08 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 81' ' ' VAL . 1.1 m-20 -134.26 110.78 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -113.33 135.81 12.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 25.3 m95 -129.66 106.58 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -107.21 153.71 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.735 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.7 m-85 -145.13 103.83 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.51 128.83 25.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.05 151.08 38.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -145.44 64.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.91 -132.51 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -19.45 42.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -108.0 167.69 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -118.53 147.74 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.65 135.36 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.28 129.43 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.8 118.19 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.4 m-85 -103.03 106.93 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.479 HG23 ' CA ' ' A' ' 94' ' ' GLY . 2.0 m -108.01 114.32 46.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -111.5 129.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -136.0 118.46 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 110' ' ' ILE . 7.1 p90 -144.43 173.37 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.99 122.98 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.8 m-85 -100.98 169.09 9.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -53.85 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 m -84.57 125.84 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.39 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.11 -25.12 64.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.52 -51.56 69.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.77 -38.25 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -48.04 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -75.05 -43.73 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.589 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -65.68 -14.15 60.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.85 -53.99 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 11.0 p30 -70.21 -24.73 63.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.537 HG11 ' CG ' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.38 -40.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.8 -48.74 77.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -56.25 -48.03 77.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.94 76.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.502 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.0 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.66 79.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -72.51 -43.21 63.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.838 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -60.78 -42.81 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 134' ' ' LEU . 26.3 mt -62.83 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.7 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.2 t -63.0 -51.08 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.672 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 16.7 t80 -61.49 -41.39 97.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -64.62 -42.01 95.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.24 89.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.31 85.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.49 ' HB1' ' CD2' ' A' ' 12' ' ' TYR . . . -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.7 62.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.99 -35.26 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.52 -55.55 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.462 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 5.4 m-70 -64.19 -30.65 71.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.48 -57.54 18.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.339 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 mmt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 120' ' ' ASP . 17.8 m80 -62.87 118.78 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 21.8 ttp-105 -135.72 145.23 46.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.629 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -136.96 137.35 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.628 HG13 HG12 ' A' ' 109' ' ' VAL . 3.5 t -111.9 143.73 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.7 129.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -124.16 113.67 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.77 157.99 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 10' ' ' LEU . 50.6 t -131.74 128.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 9' ' ' VAL . 53.8 mt -132.32 114.65 14.79 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.01 60.25 5.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 18.0 m-85 -121.99 162.24 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -53.7 161.72 1.55 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.99 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -74.83 -47.18 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -52.81 -24.57 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.6 mt -67.99 -43.59 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.98 -35.86 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.58 -32.95 58.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 3.3 mt -72.57 -44.85 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.82 HG22 ' CD1' ' A' ' 97' ' ' PHE . 58.3 t -59.06 -41.73 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.03 22.29 33.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.629 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 22.5 t0 -55.66 -31.54 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 m -49.26 -26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ALA . 25.1 t0 -122.09 -48.39 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -36.35 -87.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 18.4 m-85 39.38 83.37 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -73.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 179.13 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -59.51 174.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.916 HG12 ' CZ2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -159.07 91.12 1.98 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -74.92 -41.28 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.916 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -47.86 -25.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -123.06 177.4 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -125.31 -93.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.79 151.3 19.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 2.5 tpt -157.51 144.19 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -156.75 132.59 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 p -133.79 117.31 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.406 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.91 178.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 66.01 98.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.05 -144.03 6.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -139.44 158.62 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.22 121.55 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -132.49 133.22 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.31 -129.43 8.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.944 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -97.95 37.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 73' ' ' ASP . 24.4 t -137.93 148.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.2 p -146.65 125.45 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 21.2 m -122.95 133.68 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.43 172.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -77.72 135.96 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -116.29 107.42 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 102.43 13.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.45 153.17 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 9.7 mt-30 -125.51 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.9 m -136.96 123.35 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.76 169.94 17.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.9 16.05 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.711 ' C ' ' CG ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -107.07 5.51 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.711 ' CG ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 64.41 6.24 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -134.45 107.72 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 100.02 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.651 ' HG3' HD11 ' A' ' 62' ' ' LEU . 2.7 mm-40 -139.14 142.76 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.61 156.72 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -159.21 153.02 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -126.96 143.72 51.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.899 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -145.53 152.85 40.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 111.87 12.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.673 HG23 ' CG2' ' A' ' 81' ' ' VAL . 14.5 p -101.12 128.2 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' ASP . 6.9 ptm180 -118.49 134.44 55.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -124.88 148.05 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' A' ' 48' ' ' VAL . 45.9 t0 -139.71 122.29 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.944 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -88.3 -11.28 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -94.75 -24.13 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -105.24 -25.98 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.61 37.49 7.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.67 164.46 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 72' ' ' ARG . 6.9 mm -139.82 137.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 5.8 t0 -136.54 148.3 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.673 ' CG2' HG23 ' A' ' 70' ' ' VAL . 42.8 t -142.13 131.65 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.4 m -135.28 166.63 22.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.047 HD23 ' CE1' ' A' ' 88' ' ' PHE . 2.8 mp -57.07 140.84 47.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -123.21 -56.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.97 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.96 -33.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.644 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -27.81 135.06 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.67 18.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 1.047 ' CE1' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -50.91 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.86 -60.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.39 122.35 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' H ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -155.22 132.18 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.92 153.22 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -140.05 140.89 36.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 133.51 5.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.568 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 26.6 m95 -130.08 115.07 16.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -113.2 140.59 47.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -142.04 120.64 12.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -147.09 131.96 8.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 148.23 35.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.13 175.15 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.42 -129.61 1.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -103.39 -19.98 14.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.62 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . . . -129.15 165.19 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -96.57 148.46 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -114.54 135.22 54.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -117.32 123.9 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -98.71 119.28 37.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -112.26 107.96 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.628 HG12 HG13 ' A' ' 5' ' ' VAL . 27.5 m -113.42 114.33 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.803 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.14 135.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -148.62 168.32 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.04 119.57 19.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.028 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 10.0 m-85 -99.01 174.22 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -53.52 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.0 125.17 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.22 -28.27 69.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.57 -51.6 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 119' ' ' LEU . 14.2 mt -65.23 -25.61 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.589 ' HB3' ' CE1' ' A' ' 2' ' ' HIS . 1.3 t0 -58.34 -51.21 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.06 -37.84 57.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -47.09 87.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.028 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 8.0 mt -74.24 -48.48 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.69 -12.97 38.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -81.36 -54.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.4 p30 -69.16 -21.24 64.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -42.76 -44.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 12.2 t70 -60.82 -46.66 89.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ASN . 7.3 mmt180 -56.54 -48.29 77.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.28 -41.89 76.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.19 -29.77 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.12 84.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.6 ptpt -72.81 -47.58 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.836 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.6 -43.48 80.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.721 ' N ' HD12 ' A' ' 134' ' ' LEU . 21.7 mt -61.64 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.07 70.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.68 -51.36 67.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 76.7 t80 -64.59 -40.84 96.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.438 ' HG3' HD22 ' A' ' 10' ' ' LEU . 5.0 tt0 -60.54 -50.2 74.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.95 84.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.537 ' NH1' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.55 -36.04 82.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.85 95.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -73.74 -32.57 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.54 -32.67 71.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.537 HD12 ' NH1' ' A' ' 141' ' ' ARG . 0.5 OUTLIER -80.62 -53.95 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.34 -38.93 91.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 40.28 51.07 3.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.468 0.175 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.595 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 21.7 m-70 -43.53 118.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -131.34 152.51 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.716 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.68 134.28 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 138.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' CG1' HD11 ' A' ' 135' ' ' ILE . 2.1 t -137.06 110.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -123.86 127.26 47.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CE ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -133.58 172.01 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HD23 ' A' ' 10' ' ' LEU . 72.2 t -135.14 119.54 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 9' ' ' VAL . 13.7 mt -114.91 113.86 44.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 77.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.821 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -173.34 -174.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 146' ' ' HIS . 36.9 p -73.74 145.21 84.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.822 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.02 2.87 6.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -51.59 -44.69 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 67.0 mm-40 -56.15 -31.49 63.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.822 HD12 ' CB ' ' A' ' 14' ' ' PRO . 9.1 mt -64.76 -37.7 88.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -47.69 -37.64 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.23 -29.27 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.7 mt -75.32 -40.54 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.908 HG13 ' CG1' ' A' ' 79' ' ' ILE . 84.7 t -61.88 -26.92 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -111.89 5.77 27.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -46.58 -44.43 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.854 HG23 HG21 ' A' ' 39' ' ' THR . 26.0 m -45.62 -24.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 23' ' ' ASP . 25.3 t0 -119.77 -65.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -37.91 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CD2' ' CG ' ' A' ' 23' ' ' ASP . 8.5 m-30 -31.47 97.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.4 Cg_endo -75.04 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -99.4 82.68 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' A' ' 31' ' ' VAL . 64.5 t80 -170.26 175.58 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CH2' ' A' ' 33' ' ' TRP . 16.0 t 86.2 90.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.761 ' CH2' HG13 ' A' ' 31' ' ' VAL . 3.4 p90 -48.27 -24.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -116.26 -174.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.944 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -135.04 -86.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.944 ' H ' HG23 ' A' ' 35' ' ' THR . . . -90.83 151.8 21.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 56.0 tpp -152.91 148.73 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 134.63 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.854 HG21 HG23 ' A' ' 24' ' ' VAL . 38.6 p -135.53 118.56 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.67 179.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m-20 67.34 94.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 173.82 -134.77 2.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.39 161.9 40.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.2 p -130.27 125.29 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -134.33 134.85 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.77 -128.08 6.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.931 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -100.13 39.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 73' ' ' ASP . 19.7 t -139.2 149.52 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.647 ' OG ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -141.7 129.12 21.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.819 HG23 ' HG3' ' A' ' 71' ' ' ARG . 95.8 m -125.75 123.33 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.46 172.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 142.29 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -118.23 108.22 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -108.69 108.68 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.9 167.87 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.496 ' HB2' HG23 ' A' ' 35' ' ' THR . 39.9 mt-30 -126.95 176.5 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.02 122.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.89 -84.98 1.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.12 48.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.761 ' O ' HD21 ' A' ' 123' ' ' LEU . 1.1 p -108.71 3.59 22.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' SER . 13.7 t80 74.26 -2.42 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.34 103.45 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 93.05 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -145.26 163.38 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 149.82 33.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 44.0 m-85 -143.26 158.46 43.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.13 142.67 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.902 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -149.77 175.28 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.9 ttp180 -96.82 108.67 21.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -92.64 136.82 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.819 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.8 mtt180 -128.59 118.73 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -116.49 150.27 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.576 ' CG ' HG22 ' A' ' 48' ' ' VAL . 39.7 t0 -147.09 128.98 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.931 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.99 -11.67 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.37 -26.11 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.77 -22.29 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 60.78 36.39 19.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.11 159.65 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.908 ' CG1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -133.9 137.45 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -143.97 140.99 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.6 t -135.79 145.46 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.5 m -133.11 157.1 46.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.74 133.66 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.913 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 tt -123.28 -58.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.72 -5.12 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.38 -133.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 94.96 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.07 83.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.56 -45.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 170.78 131.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -176.5 138.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.8 145.81 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.09 155.07 41.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.68 151.39 8.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.809 ' CZ2' ' CZ ' ' A' ' 108' ' ' PHE . 5.2 m95 -124.69 152.91 43.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -136.65 144.92 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.625 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.4 m-85 -139.23 112.83 8.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.7 135.22 27.18 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.69 36.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -148.08 63.71 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.29 -135.07 12.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.26 -27.6 60.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -103.83 161.7 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.67 147.32 40.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 9.9 tmm_? -109.62 130.9 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 17' ' ' LEU . 59.5 t -120.62 138.49 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 19.2 mt-10 -129.86 130.82 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.809 ' CZ ' ' CZ2' ' A' ' 95' ' ' TRP . 9.6 t80 -125.47 123.29 38.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -107.3 133.11 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 4' ' ' HIS . 1.5 pp -124.19 126.86 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -136.46 138.77 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.743 ' HB3' HD12 ' A' ' 91' ' ' LEU . 4.1 p90 -168.78 160.87 10.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.11 128.37 56.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.8 OUTLIER -106.73 164.51 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.509 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.14 -53.97 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.541 ' HB2' HD12 ' A' ' 119' ' ' LEU . 1.5 m -79.01 129.28 34.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -50.25 63.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 116' ' ' SER . 28.2 mt -66.62 -26.04 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.595 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -56.93 -49.17 76.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.3 -38.3 42.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -72.77 -47.14 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.92 -12.58 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.91 -53.83 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.472 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 11.5 p30 -70.66 -21.04 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -45.64 -44.87 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 31.8 t70 -62.76 -40.96 98.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -61.02 -46.66 89.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.85 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.44 -43.97 98.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -67.34 -36.53 81.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.628 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.32 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.525 HD11 ' CG1' ' A' ' 6' ' ' VAL . 56.0 mt -75.15 -43.39 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.493 ' HG ' ' HE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -75.59 -49.78 17.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 142' ' ' ALA . 27.9 t80 -58.37 -33.66 69.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.99 -51.54 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.66 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -34.72 77.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 138' ' ' PHE . . . -65.4 -42.14 92.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.7 tt0 -74.37 -32.64 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.08 -36.53 77.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.06 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.447 ' NE2' ' OG1' ' A' ' 13' ' ' THR . 9.1 m-70 -72.61 -16.8 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -125.2 44.68 1.23 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.304 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.561 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 23.8 m-70 -44.47 126.9 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -135.78 135.27 39.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -130.78 141.86 50.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -115.52 147.78 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 135' ' ' ILE . 1.1 t -140.66 116.29 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -122.41 122.36 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 168.96 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.766 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.1 p -136.3 128.76 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.3 mt -131.92 125.78 20.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.5 Cg_endo -74.96 61.77 5.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -127.88 -179.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -81.84 161.39 61.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.01 0.94 8.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 52.8 t0 -71.74 -46.08 59.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -50.63 -22.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.4 mt -66.72 -48.1 70.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -45.21 -33.07 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mt-10 -77.48 -37.02 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 20' ' ' LEU . 1.5 mt -70.05 -45.14 67.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 79' ' ' ILE . 61.7 t -62.86 -32.06 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.2 3.53 56.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 11.9 t0 -53.16 -35.7 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.714 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.5 m -63.49 -13.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.34 9.67 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -131.69 -131.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 6.5 m-85 32.01 57.27 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 45.54 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.853 ' HG3' HH21 ' A' ' 141' ' ' ARG . 0.2 OUTLIER -179.17 162.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.646 ' CD1' ' HD3' ' A' ' 32' ' ' PRO . 0.6 OUTLIER 57.29 -134.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 23.8 m 47.64 69.32 2.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -75.01 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.84 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -45.2 -29.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 108.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.418 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.4 tt -116.43 167.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -121.23 -91.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.581 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.9 155.49 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.6 151.68 22.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 130.0 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.714 HG21 ' CG2' ' A' ' 24' ' ' VAL . 46.9 p -130.63 118.9 21.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.11 179.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.14 90.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -177.3 -138.16 2.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -143.94 155.16 43.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.0 p -130.93 120.45 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -132.38 134.03 44.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.41 -134.13 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.802 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.14 35.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.5 t -136.19 147.26 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.51 144.07 32.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' HG3' ' A' ' 71' ' ' ARG . 53.4 m -142.41 124.3 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -152.1 172.56 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 143.05 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -123.0 108.08 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.15 103.44 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.41 154.65 23.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.521 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.6 mt-30 -122.38 -179.96 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -138.08 125.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -118.37 -39.76 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -93.82 20.01 8.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.4 t -104.58 5.48 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 35.6 t80 59.65 12.09 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tp -136.05 100.57 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.25 92.25 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -145.01 162.37 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.29 159.9 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 2.8 m-85 -152.51 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.86 144.04 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 83' ' ' LEU . 4.1 p -149.84 178.52 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -103.46 106.08 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.6 p -87.12 140.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -132.18 120.21 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 13.0 mtt180 -115.53 145.9 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CG ' HG22 ' A' ' 48' ' ' VAL . 35.7 t0 -143.83 119.39 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.802 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.15 -6.82 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.3 -24.26 15.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.6 -21.97 13.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.75 37.13 12.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.8 157.95 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.899 ' CD1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -130.92 135.44 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -139.35 141.53 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASN . 13.4 t -139.09 124.57 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.8 m -109.22 150.53 27.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.867 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -69.23 142.8 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.785 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.7 tt -119.2 -55.68 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.683 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.49 -37.16 0.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . 24.93 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.1 Cg_endo -75.01 -2.48 12.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.456 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER 72.96 46.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HE2' ' NZ ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -148.82 -53.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.78 142.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 68' ' ' THR . 6.8 tt -171.05 153.95 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -160.18 153.95 22.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.1 m-20 -159.65 143.22 14.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.14 148.79 14.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.749 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 54.6 m95 -123.9 146.11 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 mmm180 -133.26 148.54 51.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.683 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 1.3 m-85 -137.14 100.64 4.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.19 31.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.0 152.13 40.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -151.05 74.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.33 -134.26 11.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.86 -24.47 41.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.771 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -102.51 166.62 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -119.33 147.99 43.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -110.63 132.75 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.69 138.6 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.41 129.83 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.749 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.1 t80 -123.83 120.49 32.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 109' ' ' VAL . 14.0 m -107.22 116.18 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -105.74 138.08 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 15.5 mt-10 -136.14 143.52 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 1' ' ' MET . 21.0 p90 -168.84 156.58 7.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.471 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -119.64 125.07 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.132 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.1 m-85 -101.23 167.87 9.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -91.51 -51.89 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.57 130.62 35.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.31 76.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.41 -48.53 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 119' ' ' LEU . 15.3 mt -67.55 -25.61 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.561 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -57.31 -51.11 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.2 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -43.63 77.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.132 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -75.07 -44.15 49.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -63.35 -14.89 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.3 -54.05 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.547 HD21 HD23 ' A' ' 123' ' ' LEU . 5.1 p30 -68.43 -25.62 65.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.45 -40.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -47.99 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' ASN . 11.1 mmt180 -58.52 -49.46 77.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.43 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.08 -46.51 27.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CE ' ' CB ' ' A' ' 33' ' ' TRP . 8.1 pttt -65.6 -41.94 92.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 1.047 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -59.6 -48.89 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.047 ' N ' HD13 ' A' ' 134' ' ' LEU . 23.0 mt -58.14 -39.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.92 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 30' ' ' PHE . 40.7 t -62.51 -52.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.0 t80 -58.35 -39.84 80.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' A' ' 10' ' ' LEU . 7.4 tt0 -64.14 -51.5 63.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.75 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.853 HH21 ' HG3' ' A' ' 29' ' ' LYS . 1.1 mtt-85 -64.48 -39.63 94.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.1 tt0 -74.12 -32.86 63.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -64.3 -30.95 71.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 38.12 49.95 2.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.732 ' HG2' ' HB2' ' A' ' 113' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.53 0.205 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 17.0 m-70 -74.01 118.62 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -135.01 146.46 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.61 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.0 135.46 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 109' ' ' VAL . 11.8 t -113.35 144.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -138.81 121.68 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -122.58 111.72 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HZ2' ' HB ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -116.68 161.98 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.947 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.3 p -133.34 130.75 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.947 HD23 ' O ' ' A' ' 9' ' ' VAL . 10.9 mt -135.47 128.94 18.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 63.7 6.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 14.5 m-85 -127.57 175.58 8.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 p -74.42 162.34 74.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -18.93 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.16 -39.97 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 142' ' ' ALA . 1.9 mm-40 -52.48 -29.58 25.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' CD1' ' A' ' 97' ' ' PHE . 31.0 mt -63.96 -41.72 97.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.6 -38.05 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.2 mt-10 -79.21 -26.42 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -74.89 -45.52 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' CE2' ' A' ' 97' ' ' PHE . 33.3 t -62.09 -28.32 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -110.31 7.45 30.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.593 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 13.0 t0 -44.54 -34.46 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.925 ' CG2' HG21 ' A' ' 39' ' ' THR . 33.1 m -49.26 -21.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -136.71 -52.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -33.98 -63.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' OD2' ' A' ' 23' ' ' ASP . 3.3 m-30 -42.25 166.84 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -75.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.614 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -178.12 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 3.0 t80 -26.37 -94.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 29' ' ' LYS . 6.0 m 31.48 93.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.5 Cg_endo -74.97 -28.81 8.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.534 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -62.93 -14.52 48.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -133.07 -174.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -130.92 -96.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.625 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.03 149.41 19.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.79 151.6 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 111.055 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 135.56 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.925 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -135.36 116.83 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -178.61 179.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.24 94.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.71 -140.31 3.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -139.22 159.62 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -129.39 117.54 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.01 129.77 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.09 -127.31 11.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -99.21 34.56 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 73' ' ' ASP . 42.4 t -133.37 146.86 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 19.3 m -138.55 122.7 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.667 HG23 ' HG3' ' A' ' 71' ' ' ARG . 97.7 m -117.71 129.74 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -152.04 172.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.84 136.29 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -118.99 108.39 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -103.51 101.41 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 158.46 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' C ' ' CG2' ' A' ' 35' ' ' THR . 32.5 mt-30 -134.88 166.61 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' C ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -126.63 125.99 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.89 -58.85 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.3 32.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.5 m -107.39 6.7 28.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 80.7 t80 60.01 12.09 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.05 94.5 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.74 92.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -145.75 138.66 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 5.6 mttt -95.68 151.73 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.5 m-85 -143.74 153.45 42.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.6 p -151.21 167.03 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HB3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -90.2 113.31 25.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.3 p -90.81 141.95 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.667 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtp180 -136.0 112.52 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.4 OUTLIER -109.47 152.93 24.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.643 ' CG ' HG22 ' A' ' 48' ' ' VAL . 1.2 t0 -136.18 131.83 35.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.66 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 23.6 pttt -94.56 -13.5 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -98.36 -22.6 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.22 -22.32 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 35.48 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 164.19 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.05 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.63 152.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' ARG . 35.4 t70 -146.62 136.18 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 70' ' ' VAL . 48.2 t -133.3 124.81 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.9 m -117.99 150.51 39.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.908 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -62.62 134.7 56.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.908 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -125.48 -58.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -134.69 -0.51 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -51.16 -117.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.448 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.0 -37.89 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.68 ' HA ' HD21 ' A' ' 83' ' ' LEU . 2.0 t80 72.39 40.98 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -48.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.56 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -177.29 131.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -147.8 140.28 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.618 ' ND2' ' CE1' ' A' ' 108' ' ' PHE . 24.1 t-20 -131.79 125.54 32.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.11 143.06 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.734 ' CE2' ' CE1' ' A' ' 108' ' ' PHE . 73.9 m95 -114.66 147.59 39.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -141.08 145.16 35.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.886 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.2 m-85 -152.24 111.15 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.9 132.33 23.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 150.08 37.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -148.73 65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.1 -136.05 12.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.65 -23.84 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -106.01 159.21 16.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -110.12 147.7 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -106.74 127.96 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.886 HG13 ' CD1' ' A' ' 97' ' ' PHE . 56.5 t -122.42 134.31 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.734 ' CE1' ' CE2' ' A' ' 95' ' ' TRP . 24.0 t80 -123.82 119.59 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 5' ' ' VAL . 5.4 m -111.73 114.96 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.863 HD13 ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.55 136.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.47 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 17.6 mt-10 -135.61 140.42 44.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HB3' HD12 ' A' ' 91' ' ' LEU . 18.0 p90 -164.88 157.69 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.732 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -117.48 120.33 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 1.092 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.9 m-85 -97.52 161.22 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.98 -53.87 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 m -78.92 123.28 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.44 76.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.84 -51.61 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 123' ' ' LEU . 80.0 mt -64.6 -26.8 68.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 2' ' ' HIS . 1.4 t0 -55.88 -51.52 67.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.78 -38.19 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -47.63 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.092 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -74.67 -49.2 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.55 -13.24 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.94 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.0 p30 -70.1 -23.0 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.469 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.25 -37.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.32 -53.19 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.0 mpt_? -54.89 -47.16 74.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.91 -43.23 81.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -67.11 -26.65 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.84 -41.84 61.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 2.2 ptpt -71.89 -45.91 59.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.8 -43.75 81.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 134' ' ' LEU . 55.6 mt -61.54 -47.21 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.0 72.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.03 -50.63 71.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.7 t80 -60.26 -39.52 87.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.91 -52.16 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.16 83.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -35.96 82.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.599 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -64.66 -43.15 94.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.26 -32.75 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.35 -49.69 25.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -69.93 -30.99 68.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -54.19 -57.36 17.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CB ' ' HG2' ' A' ' 111' ' ' GLU . 8.0 ttp180 -104.74 128.28 52.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.653 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -103.54 130.75 51.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.22 130.47 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.872 HG11 ' HB1' ' A' ' 131' ' ' ALA . 10.4 t -130.62 105.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -109.15 139.68 43.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.73 158.4 43.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 1.019 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.8 t -136.36 132.6 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.0 mt -139.78 129.84 14.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 64.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.948 ' CE2' ' HB1' ' A' ' 142' ' ' ALA . 81.7 m-85 -130.76 167.26 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.4 p -72.09 161.05 80.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.0 -0.92 10.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.69 -48.69 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -27.95 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.0 mt -68.97 -38.96 79.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.28 -37.65 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.47 -28.84 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -74.93 -35.94 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.717 HG13 ' CG1' ' A' ' 79' ' ' ILE . 75.7 t -61.36 -38.17 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.55 14.94 59.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 35.9 t70 -50.17 -19.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 39' ' ' THR . 7.0 m -67.05 -17.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.22 25.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -108.12 -94.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE1' ' OD1' ' A' ' 23' ' ' ASP . 29.4 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.913 HG13 ' CE3' ' A' ' 33' ' ' TRP . 9.3 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.913 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -56.37 -21.65 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.53 HG23 ' N ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -120.78 179.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -135.17 -91.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' H ' HG23 ' A' ' 35' ' ' THR . . . -88.29 150.04 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 6.0 tmm? -151.67 150.06 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 37' ' ' MET . 1.3 ttt180 -168.44 131.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 24' ' ' VAL . 23.7 p -136.22 119.1 16.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -178.57 -179.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.035 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 2.8 m-20 63.51 97.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.08 -136.21 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -150.04 155.86 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.512 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.5 p -128.18 122.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.06 132.24 43.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.01 -132.44 6.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.986 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.76 35.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.593 HG22 ' CG ' ' A' ' 73' ' ' ASP . 38.3 t -135.63 149.42 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.512 ' OG ' HG23 ' A' ' 44' ' ' VAL . 24.1 m -145.22 136.93 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 16.1 m -136.09 123.04 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.448 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 70' ' ' VAL . 2.5 m -151.5 171.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.37 145.34 47.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -127.84 108.85 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.29 101.39 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.39 154.14 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 3.8 mt-30 -123.25 179.31 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.461 HG22 ' HE1' ' A' ' 66' ' ' PHE . 3.5 m -136.62 121.83 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.85 -93.79 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -75.65 54.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.8 t -107.39 1.81 23.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 60' ' ' SER . 7.5 t80 77.5 -6.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 2.7 tt -142.52 96.88 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 93.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 8.5 mt-10 -144.64 166.13 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -121.02 162.41 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HE1' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -153.1 146.4 24.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 68' ' ' THR . . . -121.74 143.42 49.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.835 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -154.68 156.64 36.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -80.59 106.21 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.1 p -88.28 128.49 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -121.53 114.5 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.714 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -110.22 144.74 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.593 ' CG ' HG22 ' A' ' 48' ' ' VAL . 13.8 t0 -137.05 129.96 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.986 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.92 -13.39 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -25.53 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.27 -23.77 15.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 61.1 35.92 18.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.4 159.28 39.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.717 ' CG1' HG13 ' A' ' 21' ' ' VAL . 8.1 mm -128.07 138.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -141.41 140.09 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 70' ' ' VAL . 79.0 t -135.55 120.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.9 m -103.36 162.51 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.835 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -78.76 137.93 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.801 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.8 tt -120.54 -56.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.731 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.87 -39.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -174.81 106.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -115.11 148.03 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -155.52 136.4 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 147.34 17.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.961 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -130.39 133.08 46.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' VAL . 1.5 mtt180 -139.19 153.14 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 2.2 p90 -153.82 136.86 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 158.43 58.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.31 35.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -157.64 87.76 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.06 -132.18 10.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.11 -20.8 28.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.79 167.88 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.69 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.42 148.64 32.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -112.66 130.44 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.961 HG11 ' CH2' ' A' ' 95' ' ' TRP . 59.7 t -122.12 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -125.8 135.88 52.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.35 118.44 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 m -99.78 123.68 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.13 124.7 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 3' ' ' ARG . 26.3 mt-10 -137.18 122.94 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.4 p90 -153.49 157.16 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.76 128.21 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.205 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.2 m-85 -107.11 174.18 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 -54.42 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -79.11 124.68 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.41 75.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.04 -50.91 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 119' ' ' LEU . 12.5 mt -66.6 -24.48 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.6 OUTLIER -58.87 -50.58 73.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.56 -36.31 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.69 95.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.205 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -74.63 -54.31 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.02 -18.03 12.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.66 -53.95 6.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 27.5 p30 -69.79 -10.98 60.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.48 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -53.11 -36.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.23 -50.02 71.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.3 mpt_? -56.45 -47.47 79.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -55.62 -44.58 77.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.872 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -67.95 -26.54 66.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.01 -36.84 73.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.8 ptpt -75.4 -45.65 37.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.802 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 134' ' ' LEU . 65.8 mt -63.98 -57.39 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.93 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.58 -51.11 66.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 20' ' ' LEU . 2.3 t80 -61.51 -42.17 98.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.49 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -62.82 -45.66 91.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.5 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.65 76.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.948 ' HB1' ' CE2' ' A' ' 12' ' ' TYR . . . -63.74 -43.78 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.65 -32.79 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -69.61 -30.42 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.01 -55.33 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.573 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -122.46 118.99 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.591 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -111.03 131.91 54.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.82 149.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.594 HG12 ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -140.69 117.47 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -121.84 128.74 51.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.594 ' HE3' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -137.12 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.618 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.5 t -134.9 125.24 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 9' ' ' VAL . 49.3 mt -129.99 115.56 17.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 67.64 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.56 -176.22 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -81.73 160.75 63.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.02 -6.19 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.52 -47.85 37.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -52.61 -34.25 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.87 -38.53 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.92 -35.39 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.29 -31.21 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -70.05 -46.5 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.789 HG22 ' CE1' ' A' ' 97' ' ' PHE . 54.1 t -61.5 -30.8 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -106.81 27.41 16.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.43 -10.4 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG2' HG21 ' A' ' 39' ' ' THR . 4.7 m -81.87 -17.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.87 12.26 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.635 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -118.35 -91.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.0 p90 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 4.9 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.404 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -74.98 -37.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.44 1.758 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.817 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -55.66 -19.13 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 35' ' ' THR . 1.4 tt -131.0 -177.44 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -130.21 -91.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.579 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -99.58 155.52 19.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.13 150.23 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.78 134.29 6.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.2 p -130.41 123.87 30.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.452 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.34 179.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 62.85 98.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.29 -144.0 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -140.63 164.92 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 126.75 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -133.29 132.79 41.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.94 -131.58 10.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -95.68 33.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' CG ' ' A' ' 73' ' ' ASP . 41.3 t -135.96 152.32 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -143.52 141.55 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 71' ' ' ARG . 31.4 m -134.87 124.97 25.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -151.84 171.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.77 138.22 41.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -124.17 108.48 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 67' ' ' ALA . 10.1 tt0 -100.3 100.75 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.16 17.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -125.19 -179.47 4.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.543 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -133.82 124.79 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' PHE . . . -138.77 76.28 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.9 t80 161.64 -23.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.3 p -79.4 8.26 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 7.0 t80 63.68 9.27 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 93.85 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 92.34 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 57' ' ' VAL . 10.6 mt-10 -145.07 134.46 23.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 145.89 26.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.96 154.97 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -131.01 141.89 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.934 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 p -148.6 170.74 17.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -94.12 109.07 20.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 11.8 p -91.8 136.68 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.644 ' HG2' HG23 ' A' ' 50' ' ' THR . 74.2 mtt180 -126.89 113.17 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' CD ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.654 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.4 t0 -144.36 123.69 13.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.761 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 2.2 pttt -93.52 -5.3 49.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.64 -23.4 16.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.03 -23.77 10.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.37 35.85 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 163.73 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.13 151.31 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.0 138.64 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 36.8 t -134.79 123.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.5 m -119.93 150.81 39.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.934 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -60.94 132.44 53.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 85' ' ' TYR . 5.6 tt -123.26 -56.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.607 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -126.99 -4.61 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.53 109.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -140.78 162.85 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . 41.9 t30 -153.32 160.32 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.34 139.66 6.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.814 ' CZ2' ' CE1' ' A' ' 108' ' ' PHE . 90.5 m95 -116.98 146.02 43.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 3.1 mmm180 -142.22 146.9 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.789 ' CE1' HG22 ' A' ' 21' ' ' VAL . 1.9 m-85 -151.44 101.48 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.1 mtp -127.1 141.3 40.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.03 159.73 40.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' NH1' ' A' ' 105' ' ' ARG . 2.6 pt-20 -150.05 57.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.63 -124.63 7.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.12 -20.69 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.65 167.85 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.64 147.88 40.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NH1' ' CD ' ' A' ' 100' ' ' GLU . 7.6 ttm105 -113.63 135.96 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 97' ' ' PHE . 57.3 t -121.99 136.16 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.71 129.85 49.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CE1' ' CZ2' ' A' ' 95' ' ' TRP . 23.0 t80 -125.7 119.25 27.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.4 125.84 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.865 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -118.14 137.43 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.53 121.7 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.75 155.38 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -109.03 122.68 47.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.7 m-85 -102.05 173.65 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -54.28 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 m -85.06 120.7 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.43 71.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.66 -52.89 26.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.95 -27.0 69.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.573 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -56.28 -51.61 67.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.699 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.36 -36.23 53.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.7 mt -74.86 -47.82 28.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.47 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -62.88 -13.8 38.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.37 -54.25 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.613 HD21 HD23 ' A' ' 123' ' ' LEU . 18.6 p30 -68.63 -20.34 64.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -48.25 -42.62 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -44.21 94.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -60.86 -54.34 46.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -55.35 -33.04 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.869 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.91 -47.9 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.3 -46.44 71.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.514 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 5.0 pttt -61.29 -42.7 99.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -58.1 -40.82 82.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.579 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 40.5 mm -63.76 -41.73 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.74 76.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.84 -51.94 62.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 16.0 t80 -62.46 -41.83 99.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.19 -48.91 79.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.53 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.91 79.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.04 89.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -32.54 65.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.46 -31.67 70.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.6 tp -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.591 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 4.6 ttp180 -112.09 121.67 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.587 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -106.24 132.34 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 144.13 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.95 112.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -115.54 129.01 56.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.522 ' HZ3' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.06 162.24 33.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.739 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.6 p -135.07 130.18 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 9' ' ' VAL . 22.0 mt -136.16 120.29 12.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 64.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -139.86 171.35 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 p -72.44 161.05 81.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.02 0.3 9.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.35 -45.94 71.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -52.87 -33.19 48.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.3 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -46.11 -40.93 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.36 -26.72 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -74.55 -41.77 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.708 HG13 HD11 ' A' ' 79' ' ' ILE . 88.1 t -57.54 -30.28 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.65 26.63 11.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.81 -7.33 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' HG21 ' A' ' 39' ' ' THR . 3.7 m -81.5 -21.74 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.589 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 5.4 t70 -121.95 -40.45 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . -72.0 -98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 35.2 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.815 ' HB ' HG22 ' A' ' 34' ' ' ILE . 14.2 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -39.23 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.72 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -56.65 -19.98 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.815 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -128.76 -172.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.45 -90.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.441 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.67 155.04 21.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.83 151.89 16.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 131.83 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.566 HG21 ' CG2' ' A' ' 24' ' ' VAL . 67.6 p -130.85 120.97 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.08 179.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 0.9 OUTLIER 63.67 98.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.59 -142.53 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -143.9 152.49 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -119.8 126.55 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.9 131.35 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.18 -130.4 6.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -96.46 36.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.602 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.1 t -136.58 149.09 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m -137.66 131.36 31.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.681 HG23 ' HG3' ' A' ' 71' ' ' ARG . 84.4 m -127.58 124.54 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.39 172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.3 146.75 38.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -131.72 107.86 9.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.624 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -104.08 101.2 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.38 157.79 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.5 mt-30 -126.18 -179.68 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.487 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.26 125.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.31 159.57 22.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 56.35 16.28 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -107.28 8.45 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 6.3 t80 62.15 10.12 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 94.86 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 92.75 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -144.95 151.05 38.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -119.66 158.68 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 11.0 m-85 -153.59 152.47 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' ' CG ' ' A' ' 54' ' ' GLU . . . -131.35 141.75 49.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -150.81 159.21 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -79.77 110.99 15.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.9 ' HA ' HG22 ' A' ' 81' ' ' VAL . 4.4 p -87.39 133.49 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.3 mtt-85 -128.13 124.77 37.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.18 46.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.231 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 48' ' ' VAL . 37.3 t0 -143.79 131.84 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.805 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.63 -9.92 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -96.95 -23.34 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.89 -27.28 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.6 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.13 161.4 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -123.96 140.6 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -150.48 137.18 19.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.9 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.5 t -139.79 131.53 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.5 m -119.23 159.18 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.949 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 tp -64.47 135.75 56.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -122.89 -57.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -4.15 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.767 HD12 ' CB ' ' A' ' 112' ' ' PHE . 2.1 tt -165.53 114.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.3 148.23 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.6 109.55 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.21 147.77 17.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.623 ' CZ2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -145.54 128.8 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.472 ' CD ' ' HB3' ' A' ' 78' ' ' SER . 2.5 mmt180 -134.81 159.0 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.853 ' CD2' HD13 ' A' ' 17' ' ' LEU . 1.4 p90 -150.45 135.63 17.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 mtt -144.96 157.2 54.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.446 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 18.2 Cg_endo -75.01 150.11 37.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 99' ' ' PRO . 21.8 mt-10 -162.99 95.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.34 -134.55 12.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.39 -26.17 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.74 167.37 10.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.05 147.92 26.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 131.99 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.623 HG11 ' CZ2' ' A' ' 95' ' ' TRP . 82.4 t -121.59 141.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -127.52 124.24 37.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 8.0 t80 -120.55 121.54 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.85 139.92 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.2 pp -126.4 122.57 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 4.7 mt-10 -136.02 127.85 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 110' ' ' ILE . 1.1 p90 -156.51 160.93 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -107.59 121.53 44.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 120' ' ' ASP . 1.6 m-85 -102.2 171.89 7.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -51.85 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.74 113.17 24.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.7 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.65 -54.1 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.92 -23.99 66.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -59.25 -52.1 67.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.84 -35.37 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -50.68 73.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.657 HD23 HD21 ' A' ' 126' ' ' ASN . 4.0 mt -75.37 -40.8 57.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -64.48 -16.62 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.43 -54.14 7.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.657 HD21 HD23 ' A' ' 123' ' ' LEU . 8.5 p30 -68.21 -25.03 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.22 -41.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -62.17 -46.86 87.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' ASN . 5.2 mmt180 -60.91 -54.16 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.89 -35.25 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.833 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -70.78 -34.17 71.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.19 95.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.501 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.3 pttt -70.27 -41.68 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -60.51 -42.51 96.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.522 HG12 ' HZ3' ' A' ' 8' ' ' LYS . 71.5 mt -63.19 -46.17 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.15 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.22 -51.42 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 14.8 t80 -62.42 -40.68 97.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.78 82.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -36.52 81.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.94 92.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -32.36 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -73.13 -28.1 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -60.01 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -133.31 117.29 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.699 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -99.26 127.45 45.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -105.25 145.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 135' ' ' ILE . 1.8 t -145.0 104.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -114.94 122.05 45.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 168.06 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.599 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.3 t -135.25 120.91 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 138' ' ' PHE . 20.7 mt -119.53 119.94 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -74.96 62.85 5.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -143.85 177.29 8.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -70.41 159.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.31 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -67.95 -39.25 83.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 138' ' ' PHE . 3.2 mp0 -53.41 -25.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 106' ' ' VAL . 15.8 mt -68.2 -42.23 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -39.76 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.2 -27.56 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 2.0 mt -77.4 -40.91 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.919 HG13 HG13 ' A' ' 79' ' ' ILE . 74.2 t -61.64 -38.44 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.88 21.85 41.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.96 -8.51 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 17.6 m -84.66 -18.17 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -136.37 10.95 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.1 -90.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.4 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.608 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.99 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.689 ' CZ2' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.0 -31.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.692 HD11 ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -122.48 -169.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.97 -91.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.585 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.37 156.54 22.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.3 pmm? -161.75 151.78 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.88 131.3 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 31.4 p -133.36 120.65 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.84 176.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.93 100.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 177.2 -136.05 2.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -144.32 156.23 44.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.7 p -132.51 119.08 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -130.83 128.83 41.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.28 -130.63 8.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.86 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.54 35.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.3 t -133.82 146.9 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.662 ' OG ' HG23 ' A' ' 44' ' ' VAL . 9.3 m -145.55 131.56 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.844 HG23 ' HG3' ' A' ' 71' ' ' ARG . 57.5 m -131.91 128.12 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.4 m -152.35 172.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.96 140.45 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.07 114.23 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -110.39 100.99 9.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -106.31 164.62 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 35' ' ' THR . 25.5 mt-30 -128.94 -178.8 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.558 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.05 125.38 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.67 68.26 0.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 172.63 -27.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.82 8.04 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.654 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 63.44 10.0 4.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.44 93.8 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 91.99 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.7 mt-10 -145.57 134.02 21.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -95.03 153.01 17.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.9 155.15 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.46 142.27 47.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.866 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.2 p -150.74 162.23 41.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HG3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -85.38 112.3 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.9 p -93.29 136.09 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.844 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.4 mtp180 -128.37 118.35 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.8 OUTLIER -115.19 152.1 33.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.55 ' CG ' HG22 ' A' ' 48' ' ' VAL . 8.8 t0 -146.44 126.62 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.86 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.25 -20.98 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -88.69 -27.5 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -97.07 -22.96 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 3.3 mtm-85 60.74 35.35 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 163.78 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.919 HG13 HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -139.24 141.49 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.87 141.79 24.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 70' ' ' VAL . 14.2 t -137.07 133.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.1 m -114.83 152.86 31.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -74.42 136.71 42.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -124.07 -59.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -134.16 -2.36 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -175.72 146.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.12 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -141.54 129.79 22.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -139.8 145.31 16.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.758 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 84.0 m95 -126.59 112.44 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -112.68 149.37 32.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.693 ' HZ ' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -131.19 130.46 43.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 115.92 4.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.0 156.86 43.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.441 1.759 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.54 60.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.27 -136.54 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -70.07 -30.76 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.73 163.05 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -120.39 147.4 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -115.3 130.22 56.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 17' ' ' LEU . 61.9 t -120.29 141.28 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.53 127.62 48.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.766 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 5.0 t80 -120.01 117.32 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.32 131.19 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.766 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -129.54 137.36 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -136.38 138.27 41.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.87 171.73 14.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -140.53 120.97 14.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 47.5 m-85 -128.27 158.18 38.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -40.72 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -83.61 109.58 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.05 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.69 -57.93 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.89 -26.87 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -57.74 -51.48 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.723 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -79.03 -32.57 45.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -49.35 76.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.685 HD23 HD21 ' A' ' 126' ' ' ASN . 6.5 mt -75.73 -45.8 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HB2' ' CE1' ' A' ' 2' ' ' HIS . . . -63.65 -16.19 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -75.79 -53.41 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.685 HD21 HD23 ' A' ' 123' ' ' LEU . 7.9 p30 -66.5 -27.64 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.699 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.26 -40.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.11 -45.55 91.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' ASN . 8.5 mmt85 -58.82 -49.57 77.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.34 82.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.412 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -69.42 -29.19 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.31 -47.72 28.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.43 -33.81 76.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.689 HD12 ' CZ2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -68.35 -41.19 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.532 HG13 HD23 ' A' ' 134' ' ' LEU . 53.1 mt -62.77 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.42 77.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 38.3 t -63.09 -51.43 66.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.345 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.714 ' CE2' HD12 ' A' ' 10' ' ' LEU . 14.8 t80 -60.11 -39.03 84.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.48 -49.28 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.91 91.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.569 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -63.7 -36.2 83.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.66 96.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.88 -32.68 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.569 HE22 ' NH2' ' A' ' 141' ' ' ARG . 25.3 tt0 -69.01 -35.11 76.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.12 -54.75 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.434 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 47.2 m-70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.407 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 5.6 ttt180 -135.28 116.45 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.679 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -106.69 131.84 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.604 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.72 133.09 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.67 103.45 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -112.59 135.31 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -144.13 169.41 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.5 t -134.89 124.57 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 9' ' ' VAL . 6.8 mt -125.83 120.04 24.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 76.88 3.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CE2' ' HD2' ' A' ' 11' ' ' PRO . 66.1 m-85 -149.74 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -76.78 161.24 74.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.711 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 0.82 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.36 -45.41 69.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 16.3 mt-30 -52.16 -23.0 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 14' ' ' PRO . 4.9 mt -75.12 -42.02 57.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -45.12 -37.45 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.21 -33.82 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -72.57 -39.49 67.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.925 HG13 ' CG1' ' A' ' 79' ' ' ILE . 78.0 t -61.12 -40.11 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.4 15.76 58.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 21.4 t0 -50.17 -21.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.1 m -66.78 -12.4 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.33 25.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -110.45 -88.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 73.4 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.05 HG13 ' CE3' ' A' ' 33' ' ' TRP . 48.0 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.16 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 1.05 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -58.47 -16.03 13.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -131.75 178.13 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -129.64 -94.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.388 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.601 ' H ' HG23 ' A' ' 35' ' ' THR . . . -101.25 151.83 18.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -162.34 152.32 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.07 133.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 24' ' ' VAL . 82.4 p -126.31 120.26 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.25 177.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 65.76 100.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.32 -144.82 7.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -142.95 153.05 42.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.47 124.76 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -133.14 130.69 39.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.12 -132.59 6.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.912 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.2 35.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.5 t -134.62 148.49 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.35 131.55 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.045 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 71' ' ' ARG . 54.9 m -130.48 125.04 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.681 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -151.92 171.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -79.37 136.18 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -122.88 108.12 12.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 37' ' ' MET . 15.6 tt0 -103.89 99.9 9.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.7 171.48 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.51 ' C ' ' CG2' ' A' ' 35' ' ' THR . 53.8 mt-30 -136.85 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 64' ' ' GLU . 1.2 m -130.25 123.53 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.75 153.25 17.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.69 15.09 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 81.5 p -101.75 8.21 41.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 4.1 t80 62.82 9.15 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.0 tt -138.94 94.08 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 94.14 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.9 mt-10 -144.59 132.66 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -95.45 156.61 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 14.9 m-85 -146.73 152.77 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 85' ' ' TYR . . . -126.82 141.33 51.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.904 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -153.3 157.86 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.681 ' HE ' HH21 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -82.74 109.86 17.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.1 p -89.77 135.62 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.681 HH21 ' HE ' ' A' ' 69' ' ' ARG . 4.3 mtt180 -127.62 128.62 45.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -127.87 146.95 50.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.566 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 t0 -143.2 116.82 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.912 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -25.86 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -101.17 -22.27 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 60.01 36.4 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 161.6 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.925 ' CG1' HG13 ' A' ' 21' ' ' VAL . 1.7 mm -133.17 139.88 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.42 140.14 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.7 t -134.47 136.02 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.8 m -119.68 158.56 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.904 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -67.4 134.42 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.754 ' N ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -124.32 -60.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -128.15 -2.43 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 91' ' ' LEU . 8.3 tt -176.18 130.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -152.07 148.51 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -149.93 149.06 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.94 148.01 14.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 108' ' ' PHE . 57.2 m95 -119.22 126.65 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.77 146.77 42.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.891 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.9 m-85 -145.22 111.84 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.4 136.5 29.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.22 40.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 -136.74 12.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.64 -26.9 60.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -105.88 167.12 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 147.39 43.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.429 ' HG3' HG22 ' A' ' 9' ' ' VAL . 5.0 ttm180 -105.77 133.64 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 97' ' ' PHE . 57.9 t -120.68 138.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -129.53 123.25 30.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.796 ' CE2' ' CH2' ' A' ' 95' ' ' TRP . 3.9 t80 -113.12 119.86 39.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.44 123.37 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.89 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.1 pp -117.4 119.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 36.1 mt-10 -136.48 118.37 15.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.89 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.5 p90 -149.14 157.25 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -112.1 121.13 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.5 m-85 -95.37 161.58 14.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -52.98 6.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -85.43 128.13 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.75 73.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.53 -46.65 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' A' ' 123' ' ' LEU . 13.3 mt -69.5 -24.16 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -59.07 -51.2 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -74.8 -35.55 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -48.55 78.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.734 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.7 mt -75.0 -40.92 60.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -69.96 -14.22 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.94 -54.34 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.3 p30 -69.8 -25.18 63.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.679 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -41.72 -34.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.76 -52.98 54.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER -59.77 -53.01 63.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.435 ' CA ' ' HE2' ' A' ' 133' ' ' LYS . . . -54.49 -37.08 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.67 -45.39 90.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.93 81.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HE3' ' CB ' ' A' ' 33' ' ' TRP . 2.3 pttt -60.84 -42.25 97.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.735 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -57.65 -41.0 80.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.455 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 29.3 mm -66.6 -50.04 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.91 63.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.1 t -67.89 -51.38 48.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 2.8 t80 -60.65 -44.9 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -48.95 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.81 73.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 144' ' ' GLN . 0.0 OUTLIER -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.404 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -64.64 -41.5 96.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 146' ' ' HIS . 1.6 tt0 -75.23 -32.89 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -71.49 -36.54 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.85 -59.9 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.3 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -120.2 125.62 48.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.654 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -108.76 140.9 41.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.06 139.12 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 131' ' ' ALA . 2.2 t -136.41 108.04 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -120.34 119.41 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 155.0 39.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p -126.55 114.37 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.51 121.03 32.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.92 63.53 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.1 177.77 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -76.56 161.54 74.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.04 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -72.4 -46.63 54.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -54.15 -23.69 15.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.4 mt -71.05 -41.52 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.17 -36.62 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.28 -28.96 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -71.29 -39.99 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.863 HG22 ' CZ2' ' A' ' 95' ' ' TRP . 12.7 t -59.81 -43.21 91.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -97.33 24.63 30.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.7 t70 -67.38 -7.16 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HB ' HG21 ' A' ' 39' ' ' THR . 15.9 m -87.17 -18.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -131.37 6.61 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.656 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -123.34 -90.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 44.3 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.752 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 25.8 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.0 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.752 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -52.76 -21.29 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.5 tt -127.12 -177.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.08 -91.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.56 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -90.45 148.16 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 42.1 tpp -153.97 147.91 25.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -167.36 131.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.634 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.1 p -135.73 118.84 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.43 179.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.26 92.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.69 -136.82 2.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 162.68 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.1 p -134.5 119.92 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -130.2 131.12 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.72 -131.57 7.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.88 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.92 35.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.8 148.04 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.498 ' OG ' HG23 ' A' ' 44' ' ' VAL . 59.1 m -141.88 134.2 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.515 HG23 ' HG3' ' A' ' 71' ' ' ARG . 47.3 m -129.3 126.84 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -151.36 172.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -75.89 144.67 41.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -123.61 109.08 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.62 101.95 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.25 153.0 30.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -124.46 -178.73 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.8 OUTLIER -137.78 124.92 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.72 -60.23 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.43 33.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 4.0 m -106.54 6.64 30.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 60' ' ' SER . 28.8 t80 62.79 13.35 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 62' ' ' LEU . 3.8 tp -145.13 113.24 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -83.91 90.96 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.37 164.58 31.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 157.33 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -146.61 154.73 41.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' THR . . . -136.67 139.52 42.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -154.39 155.31 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -80.11 110.28 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.6 p -88.2 135.55 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.5 mtp180 -123.58 114.8 20.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 72' ' ' ARG . 4.2 mtm105 -108.65 148.23 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 33.4 t0 -141.26 127.77 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.88 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.43 -12.06 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -95.36 -22.89 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.34 -21.93 13.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' O ' ' CZ3' ' A' ' 95' ' ' TRP . 1.8 mtm105 61.18 33.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.74 160.63 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -128.16 152.24 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -151.55 137.83 18.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG12 ' HB ' ' A' ' 68' ' ' THR . 28.4 t -127.16 138.27 55.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.2 m -118.9 154.59 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.886 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -71.37 130.84 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' A' ' 85' ' ' TYR . 1.8 tt -124.86 -56.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.838 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -133.47 -1.53 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 91' ' ' LEU . 6.3 tt -176.82 127.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.34 146.58 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -141.94 157.9 44.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 163.05 20.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.863 ' CZ2' HG22 ' A' ' 21' ' ' VAL . 12.4 p-90 -149.18 151.0 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.91 142.34 42.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' A' ' 95' ' ' TRP . 20.4 m-30 -94.14 145.44 24.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.07 93.46 2.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 148.99 36.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 57.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.13 -130.01 8.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.09 -19.86 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.17 167.44 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.72 146.62 50.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.48 125.8 46.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.7 t -110.98 141.76 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' TRP . 7.2 mt-10 -126.09 131.43 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.4 118.94 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -99.11 125.66 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.846 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.31 123.35 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -136.36 117.59 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.846 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.0 p90 -146.79 160.79 41.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -110.56 129.08 55.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.831 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -108.58 169.23 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -54.38 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 m -93.12 121.8 34.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.88 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.87 -50.19 63.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.87 -24.62 66.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.606 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -58.68 -52.13 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.09 -34.98 61.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -49.04 77.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.831 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.9 mt -75.66 -42.94 49.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -66.84 -14.37 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.49 -53.28 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.536 HD21 HD23 ' A' ' 123' ' ' LEU . 6.0 p30 -69.12 -24.08 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.646 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.23 -44.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.9 t0 -62.24 -44.32 96.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.5 OUTLIER -59.59 -49.1 79.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.22 84.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.3 -32.31 73.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.39 85.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.493 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 8.8 pttt -72.18 -37.72 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.783 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.92 -40.15 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.57 -35.77 62.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.74 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.61 -50.37 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.572 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 62.7 t80 -65.75 -45.62 81.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -47.68 83.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.92 80.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -35.46 80.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.12 95.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.96 -32.84 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.01 78.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.07 -56.5 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 17.0 m-70 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.43 143.26 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.654 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -127.86 131.04 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.41 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 2.2 p -103.76 152.55 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.648 HG11 HD11 ' A' ' 135' ' ' ILE . 1.3 t -148.81 115.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -119.06 113.47 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 160.03 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 ' O ' HD23 ' A' ' 10' ' ' LEU . 9.6 p -136.49 122.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -137.46 130.31 16.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.0 70.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -129.85 168.66 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 13' ' ' THR . 3.3 p -80.59 166.45 39.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.05 -1.29 11.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 18' ' ' PHE . 8.1 t0 -74.87 -48.03 27.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 1.9 mm-40 -51.26 -39.74 57.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.002 HD12 ' HA ' ' A' ' 14' ' ' PRO . 2.3 mt -59.25 -39.0 81.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' ASP . 17.3 t80 -45.95 -39.48 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.26 -32.25 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.77 -35.73 70.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.011 HG13 HD11 ' A' ' 79' ' ' ILE . 79.3 t -60.38 -34.66 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.08 27.68 16.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 5.7 t70 -71.05 -6.76 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG23 HG21 ' A' ' 39' ' ' THR . 20.7 m -79.68 -14.21 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' A' ' 27' ' ' TYR . 16.7 t70 -133.49 -36.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.735 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -80.69 -93.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.735 ' O ' ' O ' ' A' ' 26' ' ' ALA . 50.9 p90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.578 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.28 -22.24 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 108.03 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.56 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.0 tt -128.85 -179.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -127.65 -90.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.572 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.92 152.33 19.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 22.5 tpp -154.47 151.34 28.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -163.46 139.35 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.642 HG21 HG23 ' A' ' 24' ' ' VAL . 51.4 p -135.82 119.27 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.498 ' NE1' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -179.38 177.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.498 ' ND2' ' NE1' ' A' ' 40' ' ' TRP . 1.2 m-20 65.82 100.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.86 -144.15 7.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.62 160.28 40.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.92 124.4 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -134.25 132.9 40.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.84 -131.29 6.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -95.34 37.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.64 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.6 t -136.42 149.34 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.4 130.46 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.707 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.9 m -127.48 125.82 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 110.369 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.21 172.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.03 138.97 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -114.93 107.95 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.01 100.61 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.07 153.88 26.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' CG2' ' A' ' 35' ' ' THR . 3.8 mt-30 -124.66 179.84 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.542 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -135.7 125.15 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.98 -47.22 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 37.3 t80 -75.6 -5.46 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -85.51 5.02 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 16.8 t80 58.81 12.12 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -128.03 105.38 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 92.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.34 158.09 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -126.03 152.53 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -151.97 156.91 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.33 141.97 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.922 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -147.71 156.86 43.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 3.3 tpt180 -78.47 112.08 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.0 p -93.83 131.8 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.48 125.49 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.72 152.89 46.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t0 -145.91 129.84 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.795 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 4.3 pttt -90.83 -11.8 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 -24.04 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.86 -28.25 13.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 60.85 38.14 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.43 160.72 33.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 1.011 HD11 HG13 ' A' ' 21' ' ' VAL . 16.4 mm -125.6 137.77 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -143.14 139.4 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.0 t -139.04 135.87 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.1 m -122.46 155.63 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.979 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -74.05 132.56 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.979 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -124.04 -56.22 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -132.54 -1.95 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CD2' HG21 ' A' ' 68' ' ' THR . 3.7 tt -176.63 145.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.85 165.85 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -155.21 118.23 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.32 141.66 12.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.859 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -143.22 131.55 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -138.91 158.98 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.865 ' CD2' HD13 ' A' ' 17' ' ' LEU . 14.6 p90 -154.72 145.47 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -151.32 138.12 11.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 149.52 36.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.94 176.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 37.98 -132.46 1.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.82 -21.45 15.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -128.77 164.49 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -92.77 148.36 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.13 127.61 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.859 HG11 ' CH2' ' A' ' 95' ' ' TRP . 57.7 t -120.04 139.49 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -123.87 127.75 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -125.66 108.44 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 109' ' ' VAL . 26.8 m -108.32 118.42 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.843 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -107.47 134.49 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 88.2 mt-10 -124.17 147.67 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -173.87 159.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -123.36 120.33 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.865 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.7 m-85 -96.77 170.23 9.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 -52.31 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -81.99 119.5 24.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.36 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 118' ' ' LEU . 3.2 mm? -70.43 -54.07 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.51 -26.71 68.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 2.4 t0 -56.52 -51.57 68.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.95 -37.47 55.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.88 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.865 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.0 mt -74.85 -47.61 29.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.51 -13.14 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.4 -53.63 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.487 HD21 HD23 ' A' ' 123' ' ' LEU . 11.4 p30 -71.74 -25.01 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.623 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -44.47 -42.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.23 -44.93 93.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.71 -49.47 77.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.37 78.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.648 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.17 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.84 -45.86 91.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.088 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.0 pttt -69.1 -41.03 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.766 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -61.86 -41.54 97.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.648 HD11 HG11 ' A' ' 6' ' ' VAL . 31.9 mt -62.61 -47.28 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.37 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 28.3 t -62.05 -50.99 69.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.92 -39.01 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.484 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.91 -51.5 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.52 72.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -37.02 85.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.499 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -63.82 -43.49 96.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.78 66.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.21 -34.49 77.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -51.85 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.598 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 35.2 m-70 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -125.31 117.82 24.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.68 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.12 142.44 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 16.2 t -105.11 145.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.683 HG12 HD11 ' A' ' 135' ' ' ILE . 2.9 t -150.52 103.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -121.42 124.4 44.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -129.4 158.52 38.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.636 ' O ' HD23 ' A' ' 10' ' ' LEU . 55.4 t -136.69 130.26 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -139.67 130.47 14.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.97 56.25 4.18 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.5 m-85 -115.17 161.32 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.6 p -66.0 162.79 42.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.878 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 14.3 t0 -74.56 -48.04 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -51.48 -23.0 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.3 mt -69.13 -44.99 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -45.13 -32.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.62 -35.41 45.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.632 HD11 ' CG ' ' A' ' 138' ' ' PHE . 2.9 mt -75.89 -38.23 58.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.868 HG22 ' CE2' ' A' ' 97' ' ' PHE . 40.6 t -61.73 -35.56 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -104.71 23.26 31.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.82 -16.22 6.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.5 m -83.96 -12.19 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.6 14.21 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.629 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.91 -94.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.632 ' O ' ' CD2' ' A' ' 27' ' ' TYR . 41.4 p90 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 1.9 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HD2' ' CD ' ' A' ' 133' ' ' LYS . 18.5 Cg_endo -74.95 -37.41 2.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -48.61 -23.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -123.42 176.12 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -135.35 -90.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.546 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.71 154.85 20.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.62 151.69 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.81 132.13 5.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 70.8 p -131.66 118.56 20.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.35 179.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.9 97.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 175.3 -149.04 9.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -135.39 160.03 39.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -125.31 127.81 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.27 130.95 37.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.97 -131.71 6.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.44 36.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 73' ' ' ASP . 33.7 t -136.53 149.09 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.59 133.44 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 71' ' ' ARG . 83.8 m -127.72 122.4 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.3 m -152.22 172.27 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.32 139.6 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -125.58 111.94 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -104.09 100.21 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 154.73 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.466 ' C ' ' CG2' ' A' ' 35' ' ' THR . 15.7 mt-30 -125.23 178.71 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.505 ' C ' HG21 ' A' ' 35' ' ' THR . 1.4 m -135.24 126.0 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.33 -65.43 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.0 35.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.4 m -108.05 5.53 26.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 55.4 t80 59.9 11.61 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -139.12 94.62 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 91.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -145.54 161.22 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.1 ptmt -121.02 150.97 40.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 3.5 m-85 -146.94 147.2 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 68' ' ' THR . . . -125.79 141.6 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.78 156.43 40.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.392 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.0 ttt180 -78.14 110.02 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.1 p -88.29 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.37 114.78 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -109.65 155.46 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.675 ' CG ' HG22 ' A' ' 48' ' ' VAL . 15.0 t0 -147.33 126.35 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.902 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -92.01 -10.75 38.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -23.09 15.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.17 -26.71 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 9.2 mmt-85 61.92 36.51 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.492 ' O ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -131.63 153.39 49.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.752 HD11 ' CG1' ' A' ' 21' ' ' VAL . 20.7 mm -119.93 142.55 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -144.55 137.26 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' VAL . 98.2 t -135.33 130.58 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.9 m -120.78 161.81 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.919 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.7 tp -63.86 131.35 47.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.7 tt -123.4 -56.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.558 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -129.62 -4.2 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 112' ' ' PHE . 2.3 tp -173.24 116.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -140.14 138.66 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.0 t-20 -150.73 124.38 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.81 161.73 33.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.698 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -146.49 166.63 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -131.71 147.22 52.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.868 ' CE2' HG22 ' A' ' 21' ' ' VAL . 20.3 m-85 -123.28 106.93 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.85 148.73 71.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.04 38.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -158.68 91.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -131.95 10.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -89.22 -19.88 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.51 168.0 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.77 147.89 24.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.499 ' HA ' HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -108.39 130.67 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 97' ' ' PHE . 60.7 t -121.05 131.48 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.85 124.15 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 1.6 t80 -123.82 120.42 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.1 m -106.85 126.5 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -113.32 118.2 57.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -137.19 119.49 15.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.821 ' HB3' HD12 ' A' ' 91' ' ' LEU . 1.4 m-85 -151.72 154.72 36.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -114.11 120.87 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 8.4 m-85 -97.23 168.64 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -50.0 7.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 m -87.2 118.14 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.52 64.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.35 -54.08 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.91 -29.0 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.598 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 3.4 t0 -53.72 -52.38 60.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.61 -41.25 39.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.41 ' O ' ' HB3' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -53.96 -46.56 71.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.7 mt -74.15 -44.27 54.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -60.28 -16.47 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 122' ' ' MET . . . -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.793 HD21 HD23 ' A' ' 123' ' ' LEU . 7.6 p30 -67.24 -26.1 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -44.67 -41.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.06 -40.64 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.8 mmp_? -64.64 -50.46 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -58.94 -49.84 76.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -62.0 -29.17 70.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.72 -50.27 25.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.38 -36.94 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.9 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -63.0 -42.68 99.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 6' ' ' VAL . 52.2 mt -61.94 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.94 -51.71 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.632 ' CG ' HD11 ' A' ' 20' ' ' LEU . 15.4 t80 -57.86 -39.29 77.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.55 ' HG3' HD22 ' A' ' 10' ' ' LEU . 1.8 tt0 -65.04 -52.08 57.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.01 77.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.65 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -62.91 -38.67 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -62.77 -43.39 98.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.23 -32.8 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . 0.65 HE22 ' NH2' ' A' ' 141' ' ' ARG . 24.0 tt0 -67.57 -37.35 82.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.02 -50.66 21.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.61 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.0 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -123.79 146.09 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.718 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -128.94 137.16 51.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.594 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 11.8 t -104.1 147.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.421 HG12 HD11 ' A' ' 135' ' ' ILE . 2.4 t -149.18 111.22 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -118.09 131.73 56.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.713 ' HD3' HG23 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -138.71 163.53 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.717 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.4 p -136.52 126.88 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 138' ' ' PHE . 40.0 mt -126.55 117.1 22.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 70.78 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CD1' ' CD2' ' A' ' 146' ' ' HIS . 60.6 m-85 -152.22 -176.1 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.7 p -78.92 160.68 71.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.894 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 0.83 8.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.01 -49.09 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.66 -33.53 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -62.79 -39.42 94.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -46.81 -37.93 9.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -26.34 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.783 HD13 ' CH2' ' A' ' 95' ' ' TRP . 1.5 mt -73.35 -46.03 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 44.0 t -59.71 -41.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.78 27.15 21.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' HA ' ' H ' ' A' ' 27' ' ' TYR . 10.3 t70 -68.73 -8.29 41.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.896 ' CG2' HG21 ' A' ' 39' ' ' THR . 27.0 m -87.22 5.02 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.646 ' O ' ' CZ ' ' A' ' 27' ' ' TYR . 4.7 t70 -148.39 -35.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.657 ' O ' ' CD1' ' A' ' 27' ' ' TYR . . . -81.49 -57.84 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.657 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 2.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.19 2.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.895 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.27 -19.48 14.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -132.26 179.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -132.57 -91.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.556 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.61 152.69 20.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.402 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.01 151.36 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.53 129.65 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.896 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -130.7 120.31 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.66 177.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.56 99.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.32 -140.57 4.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 157.76 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.01 124.24 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.01 133.26 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.35 -131.85 5.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.937 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.7 37.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.506 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.3 t -136.1 147.87 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.3 m -141.72 121.73 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.651 HG23 ' HG3' ' A' ' 71' ' ' ARG . 55.1 m -117.62 127.47 53.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -152.27 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.67 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.06 107.81 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 100.58 11.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.4 156.68 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.496 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.9 mt-30 -128.2 175.4 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.8 m -131.33 124.44 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.38 -66.25 0.67 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.15 40.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 9.3 t -107.81 5.98 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' SER . 88.0 t80 60.15 11.7 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 64' ' ' GLU . 1.8 tt -145.26 95.26 2.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 92.54 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.7 mt-10 -145.97 152.37 39.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -116.09 162.78 16.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 45.3 m-85 -157.03 157.24 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.19 142.62 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -150.72 157.09 42.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.597 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -82.01 108.51 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.623 ' HA ' HG22 ' A' ' 81' ' ' VAL . 11.5 p -87.36 131.77 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -119.82 111.46 18.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 21' ' ' VAL . 5.5 mtp180 -104.72 149.81 25.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.506 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.3 t0 -147.1 122.26 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.937 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -92.77 -9.79 39.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -96.32 -23.56 16.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.06 -21.64 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.586 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 5.9 mtt180 60.72 37.13 19.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.04 161.67 33.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.665 HG13 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -130.68 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.54 142.35 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 70' ' ' VAL . 37.7 t -137.53 123.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.5 m -110.75 157.3 19.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.023 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -68.78 132.71 47.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.023 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -122.29 -56.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -133.28 -1.2 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.5 OUTLIER -176.46 114.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -133.3 145.93 50.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -144.52 109.63 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.9 144.85 16.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.783 ' CH2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -139.5 128.03 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -137.12 141.49 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.804 ' CD1' HD13 ' A' ' 17' ' ' LEU . 17.1 p90 -140.16 143.61 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.1 mtm -148.58 168.68 10.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -159.08 89.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.07 -134.65 13.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.48 -23.53 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.24 165.63 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 147.9 27.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -108.81 132.4 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.559 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 59.1 t -119.71 140.79 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.7 124.96 39.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.65 113.67 18.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.02 143.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.854 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.5 pp -127.67 125.73 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -136.26 124.52 23.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.854 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.7 p90 -155.62 157.36 36.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -111.92 121.58 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.0 m-85 -99.07 174.2 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -51.64 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.73 129.36 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.66 -46.52 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.04 -23.94 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.61 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -60.61 -51.89 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.03 -38.56 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -46.15 89.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.8 mt -75.29 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -60.87 -14.02 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.37 -53.72 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.23 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 123' ' ' LEU . 6.9 p30 -68.65 -27.76 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -41.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.89 -47.68 82.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.5 mmt85 -58.95 -50.95 72.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.86 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.858 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.87 -32.32 73.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.92 -45.81 79.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.495 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 9.2 pttt -67.32 -39.39 85.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.858 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -63.58 -41.8 98.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.713 HG23 ' HD3' ' A' ' 8' ' ' LYS . 67.5 mt -64.02 -40.12 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.76 81.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.4 -51.59 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 10' ' ' LEU . 19.5 t80 -58.59 -40.78 84.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.97 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.44 -37.38 65.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -64.26 -45.3 88.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.34 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -32.18 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -66.74 -38.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -55.24 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.425 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 4.6 m-70 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.459 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 33.8 m-70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 19.7 ttt180 -117.95 124.98 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.637 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -120.74 128.39 52.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.95 136.28 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 108' ' ' PHE . 2.0 t -135.68 128.53 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -124.39 128.14 48.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' HG12 ' A' ' 135' ' ' ILE . 8.8 pttt -132.74 157.89 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.524 ' O ' HD23 ' A' ' 10' ' ' LEU . 14.1 p -137.66 121.71 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 9' ' ' VAL . 15.9 mt -121.78 117.03 30.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.02 65.27 6.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -135.35 168.86 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -58.35 161.43 7.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.99 -5.14 16.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.8 -43.0 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -51.47 -32.11 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD11 HG21 ' A' ' 104' ' ' THR . 11.3 mt -64.67 -41.81 95.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.04 -33.47 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.3 mt -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.109 HG22 ' CE2' ' A' ' 97' ' ' PHE . 93.9 t -61.36 -31.01 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -106.56 27.02 18.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.74 -10.85 40.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.683 ' HB ' HG21 ' A' ' 39' ' ' THR . 35.8 m -82.18 -13.56 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.37 20.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.625 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -117.69 -109.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.654 ' O ' ' CD2' ' A' ' 27' ' ' TYR . 41.7 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.617 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.966 ' CE2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.41 -30.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 107.966 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.626 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -123.6 -166.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.626 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -139.57 -90.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.565 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.2 150.62 18.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -156.46 150.35 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.67 135.14 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.683 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.7 p -134.81 119.33 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.7 -178.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 65.0 90.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.18 -143.27 5.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -130.8 156.73 44.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 134.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' VAL . 14.0 t0 -128.14 156.01 43.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -40.58 124.01 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.764 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . 39.43 34.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 46' ' ' GLY . 55.5 t -147.46 158.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.79 134.23 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.685 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.3 m -135.02 119.53 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.74 172.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 138.53 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.607 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -117.76 111.66 19.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 103.49 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.37 150.46 28.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.0 mt-30 -124.66 174.36 7.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.479 ' C ' HG21 ' A' ' 35' ' ' THR . 1.5 m -133.81 127.0 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.69 -57.68 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.51 33.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 14.9 m -108.61 6.02 25.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 52.6 t80 59.18 13.32 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.48 101.8 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 91.5 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 57' ' ' VAL . 7.5 mt-10 -145.6 137.58 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.19 150.74 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -142.18 144.73 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' THR . . . -122.14 142.18 50.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.924 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -151.86 162.31 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.86 114.6 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 51' ' ' VAL . 11.3 p -96.7 140.57 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -136.51 122.81 20.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.652 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -119.64 153.74 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 48' ' ' VAL . 46.4 t0 -145.2 126.09 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.764 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -91.21 -11.82 37.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.72 -23.6 19.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.73 -24.96 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 39.34 10.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.6 160.08 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.798 ' CG1' HG13 ' A' ' 21' ' ' VAL . 9.7 mm -131.46 138.99 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -141.29 139.71 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 70' ' ' VAL . 72.6 t -136.12 133.27 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.8 m -123.03 156.92 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.924 ' HA ' HG22 ' A' ' 68' ' ' THR . 5.7 tp -68.04 136.19 53.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -124.31 -56.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -129.87 -3.6 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.725 HD21 HG21 ' A' ' 68' ' ' THR . 0.2 OUTLIER -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 91' ' ' LEU . 5.4 m-80 -161.49 147.09 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -143.64 153.7 42.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -159.42 142.7 8.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 30.1 m95 -131.29 108.15 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -99.95 146.44 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 1.109 ' CE2' HG22 ' A' ' 21' ' ' VAL . 15.4 m-85 -142.8 103.33 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.4 141.22 40.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.01 151.28 39.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -152.94 79.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.64 -127.27 9.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.87 -19.18 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -115.36 167.63 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.54 147.57 41.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.468 ' CD ' ' HG2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -112.43 140.35 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.407 HG22 ' HD1' ' A' ' 97' ' ' PHE . 70.2 t -118.39 131.09 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG2' ' CD ' ' A' ' 105' ' ' ARG . 3.1 mt-10 -104.96 119.41 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -109.11 106.95 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 94' ' ' GLY . 16.9 m -101.87 116.93 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.682 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -117.05 115.77 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 14.1 mt-10 -136.05 107.67 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -143.49 156.61 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.89 123.76 44.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.122 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 5.3 m-85 -94.5 173.91 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -53.71 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -85.81 118.06 25.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.54 -30.91 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.03 -52.03 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 123' ' ' LEU . 92.6 mt -64.99 -25.0 67.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.14 -51.03 71.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.655 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.63 -38.02 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -48.37 81.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.122 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.8 mt -75.23 -46.77 31.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.61 -12.98 37.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -83.12 -54.02 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 14.5 p30 -72.04 -14.97 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -47.56 -45.74 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 3.2 t0 -60.16 -42.38 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -60.77 -50.85 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.06 70.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.21 -29.23 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.24 -43.85 45.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -71.01 -33.74 70.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -70.68 -39.46 73.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.486 HG12 ' CD ' ' A' ' 8' ' ' LYS . 54.8 mt -67.52 -37.23 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.66 67.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.6 t -64.78 -51.72 60.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 86.2 t80 -62.8 -42.74 99.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -51.71 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.73 88.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.13 -35.12 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.88 91.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.19 -32.6 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -67.55 -38.06 83.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 141' ' ' ARG . 1.5 tt -74.36 -55.17 6.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.614 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.461 ' NE2' ' OD2' ' A' ' 120' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -125.14 127.04 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.67 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.5 OUTLIER -92.46 127.88 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.595 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.3 138.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.51 116.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.48 ' CG2' ' HD3' ' A' ' 105' ' ' ARG . 1.8 m -110.94 111.58 22.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -117.35 159.08 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.95 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.8 p -133.11 129.13 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.95 HD23 ' O ' ' A' ' 9' ' ' VAL . 14.9 mt -132.05 121.35 17.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 60.22 5.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.97 178.31 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -77.09 160.19 76.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.98 -1.28 11.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.13 -43.13 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.68 -24.1 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.896 HD22 ' CD1' ' A' ' 97' ' ' PHE . 5.1 mt -71.35 -40.37 70.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -36.7 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -30.17 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.806 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 2.6 mt -72.69 -37.51 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 79' ' ' ILE . 97.8 t -61.5 -27.19 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -113.5 14.83 22.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 21.1 t0 -52.67 -31.05 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.902 ' CG2' HG21 ' A' ' 39' ' ' THR . 28.1 m -64.56 -11.83 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -145.72 18.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -124.16 -135.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.611 ' CD1' ' OD2' ' A' ' 23' ' ' ASP . 4.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.826 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 3.4 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.486 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.01 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.826 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.96 -20.91 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.611 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.8 tt -129.39 -178.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -127.65 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.439 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 35' ' ' THR . . . -100.37 154.66 19.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.26 151.34 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 0.763 . . . . 0.0 110.954 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.87 139.68 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.902 HG21 ' CG2' ' A' ' 24' ' ' VAL . 51.0 p -133.86 119.65 19.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER 179.89 -175.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 t-20 61.5 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.52 -150.57 12.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.84 160.28 31.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.05 132.95 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' VAL . 5.4 t70 -129.03 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -39.48 125.22 2.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 38.84 35.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 46' ' ' GLY . 52.6 t -148.19 155.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.454 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -151.36 132.5 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.862 HG23 ' HG3' ' A' ' 71' ' ' ARG . 85.3 m -133.21 119.77 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.457 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.5 m -152.69 172.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -81.62 149.39 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.21 107.91 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.83 101.41 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 151.4 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.531 ' C ' ' CG2' ' A' ' 35' ' ' THR . 20.5 mt-30 -125.73 168.77 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -127.43 126.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.66 -81.85 1.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -81.73 43.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -108.7 7.17 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 12.0 t80 62.59 9.01 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.2 tt -142.59 94.62 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.94 93.29 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 57' ' ' VAL . 23.0 mt-10 -145.18 153.82 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -106.99 147.52 29.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.4 m-85 -143.87 155.18 44.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.71 142.25 33.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -149.88 156.5 41.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.58 114.98 20.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.688 ' HA ' HG22 ' A' ' 81' ' ' VAL . 13.2 p -98.27 140.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.862 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.3 123.57 28.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.884 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.3 ptt85 -119.91 148.76 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.439 ' CG ' HG22 ' A' ' 48' ' ' VAL . 45.7 t0 -142.96 119.83 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -87.46 -6.21 58.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -23.32 16.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.58 -22.64 12.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 63.0 37.54 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.79 161.76 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.884 HD13 ' HA ' ' A' ' 72' ' ' ARG . 11.6 mm -134.74 137.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -141.84 139.4 32.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 70' ' ' VAL . 57.8 t -135.68 145.27 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -133.46 162.95 30.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.958 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -69.04 134.31 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 85' ' ' TYR . 4.4 tt -123.45 -56.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -127.85 -4.57 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 68' ' ' THR . 1.3 tt -175.52 112.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.1 163.8 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.536 ' ND2' ' CZ2' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -152.67 151.33 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.26 143.6 10.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.536 ' CZ2' ' ND2' ' A' ' 93' ' ' ASN . 36.6 m95 -126.59 107.31 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.78 146.42 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.896 ' CD1' HD22 ' A' ' 17' ' ' LEU . 1.2 m-85 -139.12 118.14 12.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -135.67 136.96 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 98' ' ' MET . 18.1 Cg_endo -75.05 151.75 39.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.5 65.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.0 -134.23 11.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.49 -20.11 44.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.48 164.95 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.44 147.7 43.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.48 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 38.0 ttm-85 -112.02 136.91 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -116.51 127.69 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.74 116.96 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' ' 134' ' ' LEU . 3.3 m-30 -106.16 107.77 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' VAL . 20.8 m -107.8 115.76 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.741 HD12 ' C ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -126.3 126.61 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 110' ' ' ILE . 6.7 pt-20 -136.14 132.64 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 110' ' ' ILE . 4.7 p90 -149.06 166.1 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.34 119.79 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.044 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 11.0 m-85 -98.02 172.63 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -52.22 5.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.3 m -88.19 116.55 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.49 -29.37 49.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.81 -52.74 26.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.86 -26.41 68.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.461 ' OD2' ' NE2' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -56.93 -50.79 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.47 -36.88 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -47.91 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.044 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 6.7 mt -75.16 -42.29 56.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.524 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -64.68 -16.47 62.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.1 -53.43 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.646 HD21 HD23 ' A' ' 123' ' ' LEU . 6.2 p30 -68.76 -29.12 67.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.67 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -42.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.27 -46.38 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' ASN . 17.4 mmt85 -59.03 -48.69 80.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -57.75 -46.73 84.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.48 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.11 -45.94 38.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.63 ' HB2' ' HZ3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -68.81 -35.33 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.636 HD13 ' CH2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.91 -41.83 90.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 8' ' ' LYS . 55.5 mt -62.77 -45.31 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.05 77.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 15.1 t -61.37 -50.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.806 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 50.8 t80 -61.22 -38.55 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -51.95 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.79 73.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -36.67 84.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.55 94.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -32.69 65.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -37.92 79.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.41 -52.16 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.549 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 44.6 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -113.42 120.39 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.66 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.74 131.88 54.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.82 136.38 37.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.21 109.29 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -113.14 126.38 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.7 162.84 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 10' ' ' LEU . 22.1 t -136.31 125.84 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 138' ' ' PHE . 12.1 mt -129.32 121.93 20.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.96 55.62 3.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.6 m-85 -119.75 -178.84 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -84.5 162.02 52.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.9 -46.58 43.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.15 -29.14 29.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' ' 14' ' ' PRO . 5.9 mt -65.88 -40.62 91.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -37.98 8.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.8 mt-10 -75.31 -28.45 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 ' CH2' ' A' ' 95' ' ' TRP . 2.0 mt -77.64 -42.93 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 79' ' ' ILE . 69.5 t -58.14 -33.31 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.56 8.91 24.12 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' OD1' ' CG ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -43.45 -40.16 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.719 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.0 m -43.44 -25.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -127.56 -45.64 1.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -44.33 -68.81 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CG ' ' OD1' ' A' ' 23' ' ' ASP . 3.1 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' HB ' HG22 ' A' ' 34' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.3 Cg_endo -75.03 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -55.54 -18.28 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -125.79 178.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -130.27 -91.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 35' ' ' THR . . . -93.85 153.07 21.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.1 pmm? -159.92 151.12 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.0 135.2 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.719 HG21 ' CG2' ' A' ' 24' ' ' VAL . 41.0 p -131.43 117.99 19.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -179.36 178.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.46 100.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.07 -144.03 7.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 159.06 43.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.5 p -131.14 123.35 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.63 133.2 36.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.32 -133.12 8.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.08 33.54 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 ' OD1' ' A' ' 73' ' ' ASP . 29.2 t -131.9 147.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.572 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.39 127.63 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.803 HG23 ' HG3' ' A' ' 71' ' ' ARG . 63.8 m -127.46 126.48 42.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.8 m -151.75 171.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -75.5 148.09 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.16 106.83 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.98 100.44 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.76 157.17 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.491 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.2 mt-30 -127.95 179.83 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' C ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -135.12 122.9 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.74 -52.32 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.7 26.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 m -107.08 6.84 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 25.2 t80 59.26 14.47 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.45 106.69 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 91.35 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 12.6 mt-10 -145.79 158.5 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.9 150.91 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 6.9 m-85 -153.48 157.76 40.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.84 143.46 50.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -144.44 153.61 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.382 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -80.07 110.47 15.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.936 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -88.13 135.17 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.803 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtt180 -127.11 110.22 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.2 ptt180 -106.84 151.84 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.496 ' OD1' HG22 ' A' ' 48' ' ' VAL . 6.6 t0 -145.43 118.84 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 3.9 ptpt -91.33 -9.01 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -97.63 -24.16 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.16 -24.75 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 64.13 37.14 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.69 164.24 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.964 HD11 HG13 ' A' ' 21' ' ' VAL . 14.5 mm -130.72 139.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -146.37 139.43 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.936 HG22 ' HA ' ' A' ' 70' ' ' VAL . 24.5 t -138.08 138.86 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -134.92 172.72 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 83' ' ' LEU . 1.1 tt -58.27 137.96 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.914 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.4 tt -124.68 -59.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.914 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.2 -32.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.498 HD23 HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -152.34 119.83 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -144.49 129.24 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -135.39 108.95 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.25 149.48 17.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.985 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -142.72 129.4 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.54 154.57 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 17' ' ' LEU . 7.5 p90 -148.52 141.6 24.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.42 166.04 16.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.79 32.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -158.29 89.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.26 -133.51 12.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.51 -21.06 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.82 167.87 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.62 147.81 26.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.462 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 6.4 tmm_? -111.48 127.64 55.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.985 HG11 ' CH2' ' A' ' 95' ' ' TRP . 58.1 t -121.02 141.63 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 6.8 mt-10 -127.24 123.37 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.7 m -97.85 120.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.741 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -109.32 116.87 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.16 114.87 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -149.45 154.35 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -102.98 136.33 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.107 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.4 OUTLIER -114.05 166.27 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -54.33 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -86.59 128.78 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.43 -38.94 74.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.73 -46.89 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.09 -25.26 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.549 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -56.95 -51.18 70.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -72.46 -39.58 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -46.35 90.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.107 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -74.62 -54.03 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -57.0 -17.34 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.25 -52.95 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.557 HD21 HD23 ' A' ' 123' ' ' LEU . 3.1 p30 -68.1 -22.48 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.1 -39.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -61.62 -47.6 84.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 126' ' ' ASN . 16.4 mmt180 -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.58 -43.08 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 135' ' ' ILE . . . -64.27 -30.12 71.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.87 88.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 3.2 ptpt -70.86 -46.13 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 0.807 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.82 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -58.2 -43.51 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 131' ' ' ALA . 27.8 mt -60.49 -45.1 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.23 70.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.3 t -61.36 -51.47 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 108.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.784 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.9 t80 -63.4 -41.46 98.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.37 -51.28 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.28 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -35.93 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -65.3 -43.27 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -32.5 63.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -69.31 -33.72 73.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -57.39 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.63 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.605 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 8.8 m-70 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 9.1 tmm_? -129.38 144.09 51.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.692 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -132.17 128.22 37.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.602 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.99 148.13 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.98 103.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -108.65 133.5 52.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.659 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -139.59 162.15 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.611 ' C ' HD23 ' A' ' 10' ' ' LEU . 47.7 t -137.08 114.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.659 HD11 ' HE2' ' A' ' 8' ' ' LYS . 10.5 mt -116.18 119.75 36.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -74.97 58.22 4.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 146' ' ' HIS . 36.7 m-85 -139.17 -174.01 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -85.24 161.22 52.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.0 3.13 5.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.94 -47.77 76.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -54.36 -26.87 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -68.28 -40.02 81.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.71 -37.0 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.19 -28.17 42.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.705 ' CD1' ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -76.17 -34.14 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 79' ' ' ILE . 87.5 t -60.34 -38.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -102.08 22.63 37.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.6 t70 -65.1 -9.95 26.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.768 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.8 m -78.74 -17.8 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.19 18.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.81 -116.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.8 p90 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.059 HG12 ' CH2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.03 -39.92 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 1.059 ' CH2' HG12 ' A' ' 31' ' ' VAL . 3.5 p90 -51.25 -23.1 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.588 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -119.62 171.66 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -121.08 -94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.575 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -87.96 150.31 22.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 36.2 tpp -159.21 149.06 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -168.0 135.71 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.768 HG21 ' HB ' ' A' ' 24' ' ' VAL . 38.6 p -135.59 122.26 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -179.6 177.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 108.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.6 92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.08 -140.19 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.16 158.14 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.0 p -129.88 124.3 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.54 133.03 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.44 -132.14 5.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.983 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.5 35.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CG ' ' A' ' 73' ' ' ASP . 29.1 t -134.98 148.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.404 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.47 135.25 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.411 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 6.5 m -132.33 124.77 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.722 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -151.73 172.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' THR . 1.3 m-20 -71.93 146.04 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -128.41 108.63 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.68 100.45 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -108.41 155.34 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.7 mt-30 -128.25 175.47 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 60' ' ' SER . 4.0 m -136.18 126.28 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.01 -81.09 1.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.74 48.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 36.4 m -109.91 5.14 22.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 60' ' ' SER . 53.7 t80 63.74 8.12 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.25 94.26 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 93.21 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -145.07 146.52 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -106.58 150.84 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.92 146.05 33.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.34 140.96 51.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.898 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.15 152.45 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.682 ' HG3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -75.82 109.2 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 81' ' ' VAL . 3.9 p -85.21 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -129.75 121.14 26.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -120.02 148.21 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.8 t0 -142.13 116.93 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.983 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -83.12 -8.58 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -96.62 -23.41 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -102.31 -22.49 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 59.68 35.77 22.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.403 ' CB ' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -132.44 167.39 20.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 21' ' ' VAL . 1.3 tp -125.3 146.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -152.87 138.26 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 70' ' ' VAL . 70.1 t -138.76 146.82 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 18.8 m -133.26 166.34 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.9 mt -65.09 134.83 54.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 85' ' ' TYR . 3.5 tt -123.05 -56.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.715 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -132.01 -4.73 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.553 ' C ' HD23 ' A' ' 91' ' ' LEU . 4.9 tt -176.71 128.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -147.31 154.44 40.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 81' ' ' VAL . 15.7 m120 -144.19 119.02 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.19 156.4 26.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -150.49 149.17 29.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 78' ' ' SER . 1.7 mtt180 -138.2 156.0 48.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 17' ' ' LEU . 5.1 m-30 -90.06 155.48 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -154.21 94.97 2.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -74.99 150.88 38.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -153.47 70.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 -137.78 13.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.29 -28.51 61.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.25 165.02 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -126.11 147.12 49.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . 0.7 OUTLIER -116.01 130.04 56.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 57.6 t -109.02 141.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.9 124.21 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -124.05 111.35 15.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.63 125.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 110' ' ' ILE . 0.9 OUTLIER -114.72 130.86 68.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 42.6 mt-10 -134.66 143.17 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.474 ' HB2' HD12 ' A' ' 91' ' ' LEU . 7.7 p90 -169.05 160.15 9.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.49 121.65 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.948 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -101.09 166.83 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.67 -54.92 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -76.31 128.21 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.35 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.7 -51.47 62.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 123' ' ' LEU . 88.9 mt -66.15 -23.59 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.605 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -58.82 -49.76 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.9 -37.05 41.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.948 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.1 mt -75.09 -46.36 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -64.52 -12.01 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -84.14 -53.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 2.3 p30 -70.86 -17.12 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.692 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -52.44 -44.3 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.3 t0 -63.94 -34.16 77.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -68.54 -46.71 68.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -60.89 -51.24 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.487 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -61.77 -37.95 86.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.33 97.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.67 -37.48 87.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.635 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -62.45 -37.36 85.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 131' ' ' ALA . 10.4 mm -69.4 -39.84 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.27 76.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 2.7 t -67.43 -51.42 51.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 1.6 t80 -57.19 -43.58 82.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.89 -51.61 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.1 75.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -37.09 85.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.58 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.5 -32.46 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -69.68 -37.27 76.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -73.34 -54.75 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 12' ' ' TYR . 4.7 m-70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.628 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 112' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 8.0 ttp180 -129.59 117.5 20.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -94.02 131.84 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.624 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 t -108.25 145.91 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.91 118.14 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -124.17 120.07 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 165.13 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 p -133.71 121.04 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 9' ' ' VAL . 20.2 mt -120.5 116.69 31.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 61.63 5.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.803 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.71 175.33 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 p -62.51 158.85 46.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -17.75 19.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.7 -39.33 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -50.46 -24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 97' ' ' PHE . 10.2 mt -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -39.44 8.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.65 -28.99 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mt -73.27 -41.47 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 79' ' ' ILE . 48.2 t -60.57 -40.06 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -102.62 22.02 38.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.142 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.34 -13.69 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 39' ' ' THR . 10.7 m -82.84 -17.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 5.5 t70 -126.34 0.71 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.734 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -116.52 -87.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.734 ' O ' ' O ' ' A' ' 26' ' ' ALA . 35.0 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.878 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 5.1 m . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.04 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.878 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.959 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 35' ' ' THR . 1.5 tt -129.81 -175.33 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.61 HG21 ' C ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -135.47 -90.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.586 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -97.15 149.74 19.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 41.3 tpp -150.76 150.13 30.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -162.38 136.65 6.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 24' ' ' VAL . 30.5 p -135.72 115.71 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.68 -177.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.6 m-20 68.24 86.61 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -139.81 3.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 158.24 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.9 p -129.27 121.58 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -131.04 131.11 44.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.39 -131.09 9.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.968 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -94.94 36.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 73' ' ' ASP . 23.7 t -136.22 148.59 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -145.41 128.47 16.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 24.1 m -126.15 125.24 42.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.0 m -152.06 172.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 137.22 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -115.27 108.56 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -95.17 101.85 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.65 149.12 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 35' ' ' THR . 4.9 mt-30 -121.95 179.07 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.61 ' C ' HG21 ' A' ' 35' ' ' THR . 3.6 m -137.69 127.55 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.75 -73.22 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.23 41.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 12.5 m -108.62 6.5 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 37.1 t80 60.93 10.34 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -142.81 94.9 2.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 93.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.31 161.09 40.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 9.6 pttp -124.98 148.52 48.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -145.52 164.47 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.57 142.97 33.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.863 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -147.31 152.64 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.372 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.28 108.18 7.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.4 p -92.77 129.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -116.14 126.22 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.509 ' CB ' HD11 ' A' ' 79' ' ' ILE . 2.3 ptm180 -123.17 149.85 44.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.469 ' CG ' HG22 ' A' ' 48' ' ' VAL . 44.6 t0 -146.85 121.01 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.968 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -6.88 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.26 -23.69 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.91 -23.72 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 64.35 39.84 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.98 158.45 42.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -134.87 141.78 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.57 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 68' ' ' THR . 21.4 t -135.33 134.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.4 m -129.85 164.81 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.886 HD11 ' H ' ' A' ' 91' ' ' LEU . 2.3 mp -60.44 143.05 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.36 -59.85 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.587 ' CB ' HD13 ' A' ' 84' ' ' LEU . 83.7 t80 -133.89 -32.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.525 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.886 ' H ' HD11 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 150.12 51.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.46 158.31 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.54 147.31 10.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.701 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 79.9 m95 -118.37 110.1 17.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -104.35 146.24 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CE2' HG22 ' A' ' 21' ' ' VAL . 41.4 m-85 -135.5 124.88 24.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.21 116.42 9.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.01 153.44 41.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -153.22 70.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.9 -143.61 16.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.39 -28.73 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.74 167.66 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -124.4 147.43 48.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -110.12 129.68 55.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 97' ' ' PHE . 59.3 t -119.61 137.77 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.46 123.57 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.701 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 7.0 t80 -111.56 118.42 35.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.86 125.18 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -118.86 120.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -136.63 122.33 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HE1' ' HE2' ' A' ' 2' ' ' HIS . 4.7 p90 -151.85 163.3 39.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.76 121.11 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.046 ' CE1' HD13 ' A' ' 123' ' ' LEU . 10.6 m-85 -96.47 172.7 7.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -47.28 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -92.16 118.31 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.22 -28.3 62.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.03 -51.52 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 123' ' ' LEU . 98.5 mt -65.82 -25.01 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.56 -51.66 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.5 -36.63 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.64 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.046 HD13 ' CE1' ' A' ' 114' ' ' PHE . 3.3 mt -74.8 -44.23 50.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -67.24 -12.36 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.51 -53.73 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.9 p30 -71.82 -20.76 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.535 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.1 -43.93 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 2.6 t0 -62.21 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 19.1 mmt180 -61.63 -52.54 63.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.95 72.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.94 -33.07 74.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.81 -44.77 88.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.496 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 1.1 pttt -68.89 -39.3 79.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.794 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.97 -38.93 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.74 76.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 19.1 t -64.89 -51.23 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.563 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t80 -63.02 -42.1 99.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -48.41 80.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.55 -42.23 82.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -35.22 80.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.73 94.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.82 -32.94 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.79 -34.36 75.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.56 -55.88 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 110' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -128.42 118.01 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' HG12 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -104.32 128.31 52.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.56 143.85 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.14 139.39 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.69 132.13 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.785 ' HD3' HG23 ' A' ' 135' ' ' ILE . 22.7 ttpt -136.68 152.09 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 10' ' ' LEU . 8.1 p -138.49 122.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 9' ' ' VAL . 37.3 mt -122.67 119.65 28.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.01 59.91 5.32 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.2 173.88 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -63.81 160.52 44.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.766 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.18 -45.12 77.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.5 -29.3 24.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.8 mt -66.72 -40.9 88.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.64 -36.32 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.5 -30.54 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -72.39 -39.58 67.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.734 HG22 ' CE2' ' A' ' 97' ' ' PHE . 57.5 t -60.28 -30.42 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -107.33 24.99 23.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.49 -10.27 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' ' 39' ' ' THR . 23.2 m -78.21 -16.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.04 21.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.55 -111.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 34.7 p90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.824 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.6 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.972 ' CZ2' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.05 -20.25 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 108.03 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 35' ' ' THR . 1.9 tt -131.07 -178.38 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -123.69 -90.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.556 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -104.01 150.05 17.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 44.6 tpp -156.58 150.99 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.54 134.82 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.773 HG21 ' HB ' ' A' ' 24' ' ' VAL . 24.4 p -135.25 123.75 23.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.09 179.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.023 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 0.8 OUTLIER 63.78 93.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.25 -148.59 6.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.77 150.95 52.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.36 121.86 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.41 128.28 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.8 -126.97 14.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.866 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -96.7 37.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.7 t -136.6 147.79 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -146.65 116.59 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.481 ' CG2' ' CD ' ' A' ' 69' ' ' ARG . 9.3 m -115.79 134.77 54.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.73 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.94 138.94 44.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -119.02 106.73 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -99.0 101.45 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.66 153.06 23.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.507 ' C ' ' CG2' ' A' ' 35' ' ' THR . 18.9 mt-30 -127.33 172.41 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.55 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -132.86 125.03 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.6 -54.36 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -7.87 44.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 46.3 m -84.92 5.78 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 14.1 t80 59.53 12.41 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -125.88 96.04 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 92.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 14.1 mt-10 -145.47 157.69 43.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -125.95 147.06 49.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 64' ' ' GLU . 7.7 m-85 -151.54 152.5 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -125.22 142.9 51.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.8 p -145.15 160.12 41.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' CD ' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.38 111.43 17.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.646 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 3.7 p -98.54 120.82 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' O ' HD13 ' A' ' 79' ' ' ILE . 5.3 mtt180 -106.59 128.7 54.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -115.52 150.48 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.566 ' CG ' HG22 ' A' ' 48' ' ' VAL . 2.0 t0 -146.62 131.47 18.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.866 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -102.84 -12.58 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -23.8 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.0 -21.52 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.15 159.88 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.785 HD11 ' HD2' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -129.17 144.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -138.16 141.41 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 70' ' ' VAL . 53.1 t -137.36 122.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.3 m -117.92 152.97 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -68.63 134.87 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.71 -60.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.675 ' HB2' HD13 ' A' ' 84' ' ' LEU . 9.9 t80 -134.36 -4.8 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 66' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.18 117.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -141.91 141.65 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -133.52 132.11 40.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -134.15 138.47 10.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 108' ' ' PHE . 23.2 m95 -128.59 108.66 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -111.06 145.97 37.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 17' ' ' LEU . 16.8 m-85 -142.81 98.87 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.34 129.77 25.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.05 36.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -145.82 63.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.41 -132.48 11.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.69 -20.64 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.69 158.38 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.564 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.94 148.46 33.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -108.21 133.32 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 97' ' ' PHE . 90.9 t -121.09 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -108.05 118.22 36.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 1.5 m-30 -103.93 106.78 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' CA ' ' A' ' 94' ' ' GLY . 1.1 m -106.28 118.95 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER -119.34 133.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.93 126.99 33.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.414 ' HB2' ' NE2' ' A' ' 2' ' ' HIS . 1.5 m-85 -134.11 171.19 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -141.44 121.54 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 41.1 m-85 -126.9 160.94 29.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -42.83 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -83.82 109.97 17.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.43 -25.33 24.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.12 -56.58 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.9 -24.29 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.0 OUTLIER -61.82 -51.57 67.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.51 -34.28 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -49.86 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.792 HD23 HD21 ' A' ' 126' ' ' ASN . 9.2 mt -76.11 -47.19 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -61.98 -15.37 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.87 -53.68 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.792 HD21 HD23 ' A' ' 123' ' ' LEU . 12.0 p30 -67.66 -25.22 65.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.597 HG12 ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -46.76 -41.99 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.86 -43.11 97.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -61.07 -46.86 88.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.23 -29.94 70.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.33 -45.3 48.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.28 -35.0 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.87 -41.98 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.785 HG23 ' HD3' ' A' ' 8' ' ' LYS . 19.5 mt -63.3 -41.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.59 78.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.8 t -63.37 -52.0 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.243 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 84.3 t80 -58.62 -38.1 77.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -64.0 -51.82 62.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.08 77.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 1.091 HH21 HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.33 93.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -32.64 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -67.21 -36.6 82.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.091 HD12 HH21 ' A' ' 141' ' ' ARG . 0.6 OUTLIER -77.39 -54.35 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.537 ' N ' ' CD2' ' A' ' 2' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -122.89 119.29 30.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -96.33 131.8 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -110.64 145.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -145.88 131.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -126.07 120.69 30.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -125.47 160.02 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.897 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.0 p -136.23 127.69 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.897 HD23 ' O ' ' A' ' 9' ' ' VAL . 11.0 mt -127.49 114.38 21.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.95 61.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CD2' ' HB1' ' A' ' 142' ' ' ALA . 15.2 m-85 -134.42 177.24 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -65.65 160.71 58.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.566 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -11.03 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.09 -45.09 71.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mm-40 -50.71 -23.75 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.4 mt -64.78 -48.17 75.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -34.83 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.27 -29.13 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.9 mt -75.7 -46.77 29.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.984 HG13 ' CG1' ' A' ' 79' ' ' ILE . 88.7 t -61.28 -37.94 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.55 23.1 33.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.631 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 24.4 t0 -65.1 -11.55 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.829 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.7 m -85.06 -11.22 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.78 21.12 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -119.96 -102.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 12.1 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.0 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.566 ' HB2' ' CD2' ' A' ' 59' ' ' PHE . 18.4 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.564 1.823 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 1.1 p-90 -44.97 -26.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.543 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -119.44 167.45 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -126.05 -91.08 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.3 154.42 20.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -159.33 151.49 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.05 136.03 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.829 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.3 p -135.49 121.15 19.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.3 -175.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 107.972 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 m-20 61.17 95.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.49 -140.05 5.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 157.66 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.583 HG23 ' OG ' ' A' ' 49' ' ' SER . 7.3 p -129.33 122.72 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -133.8 129.76 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.94 -132.72 17.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.816 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.63 28.21 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.534 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.0 t -127.06 148.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.583 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -143.44 130.12 20.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 71' ' ' ARG . 88.8 m -127.47 122.9 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -152.23 172.76 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.512 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.98 143.81 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.705 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -126.48 108.12 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -97.95 101.05 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.0 154.66 19.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.456 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.6 mt-30 -125.51 178.94 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.549 ' C ' HG21 ' A' ' 35' ' ' THR . 5.5 m -138.47 122.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.13 -42.94 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -85.26 14.93 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 48.1 m -101.11 6.28 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 59.3 t80 58.6 13.98 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -136.66 125.58 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 93.15 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 12.6 mt-10 -144.58 140.94 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 147.11 38.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -146.9 152.02 37.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 142.42 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.663 HG21 HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.2 154.63 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -76.84 109.15 10.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.705 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 p -90.3 133.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 50' ' ' THR . 12.8 mtp85 -125.86 114.32 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -112.37 150.99 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.534 ' CG ' HG22 ' A' ' 48' ' ' VAL . 26.8 t0 -147.21 118.56 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.816 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -89.54 -7.19 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -96.32 -24.35 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.57 -23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.35 36.84 8.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.51 159.35 38.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.984 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.47 143.85 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.61 141.23 26.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 70' ' ' VAL . 59.8 t -132.22 137.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -135.5 173.87 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.59 137.07 58.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.89 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.8 tt -123.99 -59.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.89 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -136.26 -33.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.509 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD23 HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -149.95 113.52 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -140.75 143.08 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 81' ' ' VAL . 1.1 m-20 -134.26 110.78 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -113.33 135.81 12.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 25.3 m95 -129.66 106.58 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.415 ' N ' ' HD3' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -107.21 153.71 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.735 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.7 m-85 -145.13 103.83 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.51 128.83 25.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.05 151.08 38.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -145.44 64.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.91 -132.51 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -19.45 42.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -108.0 167.69 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -118.53 147.74 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.65 135.36 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.28 129.43 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.8 118.19 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.4 m-85 -103.03 106.93 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.479 HG23 ' CA ' ' A' ' 94' ' ' GLY . 2.0 m -108.01 114.32 46.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -111.5 129.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -136.0 118.46 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 110' ' ' ILE . 7.1 p90 -144.43 173.37 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.99 122.98 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.8 m-85 -100.98 169.09 9.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -53.85 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 m -84.57 125.84 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.39 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.11 -25.12 64.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.52 -51.56 69.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.77 -38.25 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -48.04 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -75.05 -43.73 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -65.68 -14.15 60.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.85 -53.99 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 11.0 p30 -70.21 -24.73 63.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.38 -40.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.8 -48.74 77.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -56.25 -48.03 77.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.94 76.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.502 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.0 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.66 79.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -72.51 -43.21 63.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.838 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -60.78 -42.81 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 134' ' ' LEU . 26.3 mt -62.83 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.7 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.2 t -63.0 -51.08 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.672 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 16.7 t80 -61.49 -41.39 97.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -64.62 -42.01 95.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.24 89.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.31 85.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.49 ' HB1' ' CD2' ' A' ' 12' ' ' TYR . . . -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.7 62.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.99 -35.26 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.52 -55.55 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.462 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 5.4 m-70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.607 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 6.7 m-70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 21.8 ttp-105 -135.72 145.23 46.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.629 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -136.96 137.35 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.628 HG13 HG12 ' A' ' 109' ' ' VAL . 3.5 t -111.9 143.73 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.7 129.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -124.16 113.67 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.77 157.99 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 10' ' ' LEU . 50.6 t -131.74 128.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 9' ' ' VAL . 53.8 mt -132.32 114.65 14.79 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.01 60.25 5.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 18.0 m-85 -121.99 162.24 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -53.7 161.72 1.55 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.99 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -74.83 -47.18 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -52.81 -24.57 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.6 mt -67.99 -43.59 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.98 -35.86 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.58 -32.95 58.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 3.3 mt -72.57 -44.85 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.82 HG22 ' CD1' ' A' ' 97' ' ' PHE . 58.3 t -59.06 -41.73 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.03 22.29 33.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.629 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 22.5 t0 -55.66 -31.54 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 m -49.26 -26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ALA . 25.1 t0 -122.09 -48.39 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -36.35 -87.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 18.4 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.916 HG12 ' CZ2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.4 Cg_endo -74.92 -41.28 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.916 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -47.86 -25.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -123.06 177.4 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -125.31 -93.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.79 151.3 19.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 2.5 tpt -157.51 144.19 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -156.75 132.59 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 p -133.79 117.31 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.406 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.91 178.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 66.01 98.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.05 -144.03 6.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -139.44 158.62 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.22 121.55 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -132.49 133.22 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.31 -129.43 8.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.944 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -97.95 37.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 73' ' ' ASP . 24.4 t -137.93 148.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.2 p -146.65 125.45 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 21.2 m -122.95 133.68 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.43 172.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -77.72 135.96 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -116.29 107.42 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 102.43 13.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.45 153.17 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.492 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 9.7 mt-30 -125.51 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.9 m -136.96 123.35 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.76 169.94 17.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.9 16.05 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.711 ' C ' ' CG ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -107.07 5.51 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.711 ' CG ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 64.41 6.24 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -134.45 107.72 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 100.02 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.651 ' HG3' HD11 ' A' ' 62' ' ' LEU . 2.7 mm-40 -139.14 142.76 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.61 156.72 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -159.21 153.02 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -126.96 143.72 51.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.899 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -145.53 152.85 40.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 111.87 12.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.673 HG23 ' CG2' ' A' ' 81' ' ' VAL . 14.5 p -101.12 128.2 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' ASP . 6.9 ptm180 -118.49 134.44 55.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -124.88 148.05 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' A' ' 48' ' ' VAL . 45.9 t0 -139.71 122.29 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.944 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -88.3 -11.28 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -94.75 -24.13 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -105.24 -25.98 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.61 37.49 7.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.67 164.46 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 72' ' ' ARG . 6.9 mm -139.82 137.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 5.8 t0 -136.54 148.3 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.673 ' CG2' HG23 ' A' ' 70' ' ' VAL . 42.8 t -142.13 131.65 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.4 m -135.28 166.63 22.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.899 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.8 mp -57.07 140.84 47.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -123.21 -56.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.97 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.96 -33.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' H ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -155.22 132.18 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.92 153.22 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -140.05 140.89 36.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 133.51 5.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.568 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 26.6 m95 -130.08 115.07 16.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -113.2 140.59 47.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -142.04 120.64 12.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -147.09 131.96 8.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 148.23 35.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.13 175.15 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.42 -129.61 1.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -103.39 -19.98 14.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.62 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . . . -129.15 165.19 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -96.57 148.46 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -114.54 135.22 54.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -117.32 123.9 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -98.71 119.28 37.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -112.26 107.96 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.628 HG12 HG13 ' A' ' 5' ' ' VAL . 27.5 m -113.42 114.33 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.803 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.14 135.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -148.62 168.32 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.04 119.57 19.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.028 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 10.0 m-85 -99.01 174.22 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -53.52 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.0 125.17 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.22 -28.27 69.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.57 -51.6 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 119' ' ' LEU . 14.2 mt -65.23 -25.61 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.607 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -58.34 -51.21 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.06 -37.84 57.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -47.09 87.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.028 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 8.0 mt -74.24 -48.48 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.69 -12.97 38.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -81.36 -54.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.4 p30 -69.16 -21.24 64.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -42.76 -44.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 12.2 t70 -60.82 -46.66 89.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ASN . 7.3 mmt180 -56.54 -48.29 77.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.28 -41.89 76.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.19 -29.77 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.12 84.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.6 ptpt -72.81 -47.58 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.836 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.6 -43.48 80.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.721 ' N ' HD12 ' A' ' 134' ' ' LEU . 21.7 mt -61.64 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.07 70.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.68 -51.36 67.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 76.7 t80 -64.59 -40.84 96.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.438 ' HG3' HD22 ' A' ' 10' ' ' LEU . 5.0 tt0 -60.54 -50.2 74.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.95 84.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.537 ' NH1' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.55 -36.04 82.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.85 95.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -32.57 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.54 -32.67 71.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.537 HD12 ' NH1' ' A' ' 141' ' ' ARG . 0.5 OUTLIER -80.62 -53.95 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.595 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 21.7 m-70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -131.34 152.51 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.716 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.68 134.28 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 138.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.525 ' CG1' HD11 ' A' ' 135' ' ' ILE . 2.1 t -137.06 110.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -123.86 127.26 47.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CE ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -133.58 172.01 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HD23 ' A' ' 10' ' ' LEU . 72.2 t -135.14 119.54 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 9' ' ' VAL . 13.7 mt -114.91 113.86 44.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 77.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.821 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -173.34 -174.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 146' ' ' HIS . 36.9 p -73.74 145.21 84.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.822 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.02 2.87 6.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -51.59 -44.69 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 67.0 mm-40 -56.15 -31.49 63.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.822 HD12 ' CB ' ' A' ' 14' ' ' PRO . 9.1 mt -64.76 -37.7 88.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -47.69 -37.64 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.23 -29.27 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.7 mt -75.32 -40.54 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.908 HG13 ' CG1' ' A' ' 79' ' ' ILE . 84.7 t -61.88 -26.92 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -111.89 5.77 27.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -46.58 -44.43 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.854 HG23 HG21 ' A' ' 39' ' ' THR . 26.0 m -45.62 -24.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 23' ' ' ASP . 25.3 t0 -119.77 -65.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -37.91 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CD2' ' CG ' ' A' ' 23' ' ' ASP . 8.5 m-30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CH2' ' A' ' 33' ' ' TRP . 16.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.761 ' CH2' HG13 ' A' ' 31' ' ' VAL . 3.4 p90 -48.27 -24.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -116.26 -174.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.944 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -135.04 -86.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.944 ' H ' HG23 ' A' ' 35' ' ' THR . . . -90.83 151.8 21.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 56.0 tpp -152.91 148.73 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 134.63 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.854 HG21 HG23 ' A' ' 24' ' ' VAL . 38.6 p -135.53 118.56 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.67 179.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m-20 67.34 94.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 173.82 -134.77 2.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.39 161.9 40.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.2 p -130.27 125.29 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -134.33 134.85 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.77 -128.08 6.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.931 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -100.13 39.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 73' ' ' ASP . 19.7 t -139.2 149.52 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.647 ' OG ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -141.7 129.12 21.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.819 HG23 ' HG3' ' A' ' 71' ' ' ARG . 95.8 m -125.75 123.33 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.46 172.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 142.29 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -118.23 108.22 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -108.69 108.68 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.9 167.87 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.496 ' HB2' HG23 ' A' ' 35' ' ' THR . 39.9 mt-30 -126.95 176.5 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.02 122.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.89 -84.98 1.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.12 48.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.761 ' O ' HD21 ' A' ' 123' ' ' LEU . 1.1 p -108.71 3.59 22.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' SER . 13.7 t80 74.26 -2.42 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.34 103.45 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 93.05 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -145.26 163.38 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 149.82 33.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 44.0 m-85 -143.26 158.46 43.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.13 142.67 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.902 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -149.77 175.28 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.9 ttp180 -96.82 108.67 21.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -92.64 136.82 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.819 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.8 mtt180 -128.59 118.73 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -116.49 150.27 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.576 ' CG ' HG22 ' A' ' 48' ' ' VAL . 39.7 t0 -147.09 128.98 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.931 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.99 -11.67 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.37 -26.11 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.77 -22.29 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 60.78 36.39 19.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.11 159.65 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.908 ' CG1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -133.9 137.45 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -143.97 140.99 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.6 t -135.79 145.46 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.5 m -133.11 157.1 46.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.74 133.66 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.913 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 tt -123.28 -58.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.72 -5.12 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -176.5 138.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.8 145.81 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.09 155.07 41.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.68 151.39 8.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.809 ' CZ2' ' CZ ' ' A' ' 108' ' ' PHE . 5.2 m95 -124.69 152.91 43.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -136.65 144.92 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.625 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.4 m-85 -139.23 112.83 8.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.7 135.22 27.18 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.69 36.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -148.08 63.71 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.29 -135.07 12.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.26 -27.6 60.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -103.83 161.7 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.67 147.32 40.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 9.9 tmm_? -109.62 130.9 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 17' ' ' LEU . 59.5 t -120.62 138.49 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 19.2 mt-10 -129.86 130.82 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.809 ' CZ ' ' CZ2' ' A' ' 95' ' ' TRP . 9.6 t80 -125.47 123.29 38.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -107.3 133.11 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 4' ' ' HIS . 1.5 pp -124.19 126.86 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -136.46 138.77 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.743 ' HB3' HD12 ' A' ' 91' ' ' LEU . 4.1 p90 -168.78 160.87 10.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.11 128.37 56.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.8 OUTLIER -106.73 164.51 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.509 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.14 -53.97 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.541 ' HB2' HD12 ' A' ' 119' ' ' LEU . 1.5 m -79.01 129.28 34.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -50.25 63.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 116' ' ' SER . 28.2 mt -66.62 -26.04 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.595 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -56.93 -49.17 76.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.3 -38.3 42.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -72.77 -47.14 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.92 -12.58 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.91 -53.83 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.472 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 11.5 p30 -70.66 -21.04 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -45.64 -44.87 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 31.8 t70 -62.76 -40.96 98.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -61.02 -46.66 89.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.85 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.44 -43.97 98.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -67.34 -36.53 81.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.628 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.32 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.525 HD11 ' CG1' ' A' ' 6' ' ' VAL . 56.0 mt -75.15 -43.39 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.59 -49.78 17.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 142' ' ' ALA . 27.9 t80 -58.37 -33.66 69.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.99 -51.54 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.66 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -34.72 77.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 138' ' ' PHE . . . -65.4 -42.14 92.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.37 -32.64 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.08 -36.53 77.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.06 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . 0.447 ' NE2' ' OG1' ' A' ' 13' ' ' THR . 9.1 m-70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.561 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 23.8 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -135.78 135.27 39.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -130.78 141.86 50.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -115.52 147.78 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 135' ' ' ILE . 1.1 t -140.66 116.29 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -122.41 122.36 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 168.96 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.766 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.1 p -136.3 128.76 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.3 mt -131.92 125.78 20.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.5 Cg_endo -74.96 61.77 5.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -127.88 -179.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -81.84 161.39 61.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.01 0.94 8.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 52.8 t0 -71.74 -46.08 59.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -50.63 -22.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.4 mt -66.72 -48.1 70.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -45.21 -33.07 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mt-10 -77.48 -37.02 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 20' ' ' LEU . 1.5 mt -70.05 -45.14 67.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 79' ' ' ILE . 61.7 t -62.86 -32.06 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.2 3.53 56.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 11.9 t0 -53.16 -35.7 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.714 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.5 m -63.49 -13.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.34 9.67 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -131.69 -131.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.466 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG12 ' HZ3' ' A' ' 33' ' ' TRP . 23.8 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.4 Cg_endo -75.01 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.84 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -45.2 -29.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 108.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.418 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.4 tt -116.43 167.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -121.23 -91.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.581 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.9 155.49 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.6 151.68 22.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 130.0 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.714 HG21 ' CG2' ' A' ' 24' ' ' VAL . 46.9 p -130.63 118.9 21.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.11 179.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.14 90.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -177.3 -138.16 2.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -143.94 155.16 43.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.0 p -130.93 120.45 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -132.38 134.03 44.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.41 -134.13 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.802 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.14 35.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.5 t -136.19 147.26 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.51 144.07 32.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' HG3' ' A' ' 71' ' ' ARG . 53.4 m -142.41 124.3 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -152.1 172.56 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 143.05 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -123.0 108.08 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.15 103.44 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.41 154.65 23.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.521 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.6 mt-30 -122.38 -179.96 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -138.08 125.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -118.37 -39.76 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -93.82 20.01 8.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.4 t -104.58 5.48 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 35.6 t80 59.65 12.09 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tp -136.05 100.57 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.25 92.25 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -145.01 162.37 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.29 159.9 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 2.8 m-85 -152.51 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.86 144.04 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 83' ' ' LEU . 4.1 p -149.84 178.52 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -103.46 106.08 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.6 p -87.12 140.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -132.18 120.21 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 13.0 mtt180 -115.53 145.9 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CG ' HG22 ' A' ' 48' ' ' VAL . 35.7 t0 -143.83 119.39 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.802 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.15 -6.82 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.3 -24.26 15.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.6 -21.97 13.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.75 37.13 12.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.8 157.95 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.899 ' CD1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -130.92 135.44 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -139.35 141.53 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASN . 13.4 t -139.09 124.57 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.8 m -109.22 150.53 27.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.867 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -69.23 142.8 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.785 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.7 tt -119.2 -55.68 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.683 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.49 -37.16 0.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 68' ' ' THR . 6.8 tt -171.05 153.95 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -160.18 153.95 22.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.1 m-20 -159.65 143.22 14.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.14 148.79 14.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.749 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 54.6 m95 -123.9 146.11 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 mmm180 -133.26 148.54 51.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.683 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 1.3 m-85 -137.14 100.64 4.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.19 31.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.0 152.13 40.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -151.05 74.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.33 -134.26 11.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.86 -24.47 41.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.771 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -102.51 166.62 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -119.33 147.99 43.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -110.63 132.75 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.69 138.6 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.41 129.83 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.749 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.1 t80 -123.83 120.49 32.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 109' ' ' VAL . 14.0 m -107.22 116.18 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.835 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -105.74 138.08 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 15.5 mt-10 -136.14 143.52 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -168.84 156.58 7.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.64 125.07 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.132 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.1 m-85 -101.23 167.87 9.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -91.51 -51.89 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.57 130.62 35.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.31 76.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.41 -48.53 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 119' ' ' LEU . 15.3 mt -67.55 -25.61 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.561 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -57.31 -51.11 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.2 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -43.63 77.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.132 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -75.07 -44.15 49.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -63.35 -14.89 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.3 -54.05 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.547 HD21 HD23 ' A' ' 123' ' ' LEU . 5.1 p30 -68.43 -25.62 65.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.45 -40.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -47.99 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' ASN . 11.1 mmt180 -58.52 -49.46 77.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.43 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.08 -46.51 27.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CE ' ' CB ' ' A' ' 33' ' ' TRP . 8.1 pttt -65.6 -41.94 92.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 1.047 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -59.6 -48.89 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.047 ' N ' HD13 ' A' ' 134' ' ' LEU . 23.0 mt -58.14 -39.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.92 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 134' ' ' LEU . 40.7 t -62.51 -52.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.0 t80 -58.35 -39.84 80.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' A' ' 10' ' ' LEU . 7.4 tt0 -64.14 -51.5 63.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.75 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.443 ' NH2' ' HA ' ' A' ' 27' ' ' TYR . 1.1 mtt-85 -64.48 -39.63 94.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -74.12 -32.86 63.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 17.0 m-70 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -135.01 146.46 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.61 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.0 135.46 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 109' ' ' VAL . 11.8 t -113.35 144.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -138.81 121.68 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -122.58 111.72 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HZ2' ' HB ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -116.68 161.98 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.947 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.3 p -133.34 130.75 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.947 HD23 ' O ' ' A' ' 9' ' ' VAL . 10.9 mt -135.47 128.94 18.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 63.7 6.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 14.5 m-85 -127.57 175.58 8.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 p -74.42 162.34 74.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -18.93 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.16 -39.97 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 142' ' ' ALA . 1.9 mm-40 -52.48 -29.58 25.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' CD1' ' A' ' 97' ' ' PHE . 31.0 mt -63.96 -41.72 97.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.6 -38.05 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.2 mt-10 -79.21 -26.42 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -74.89 -45.52 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' CE2' ' A' ' 97' ' ' PHE . 33.3 t -62.09 -28.32 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -110.31 7.45 30.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.593 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 13.0 t0 -44.54 -34.46 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.925 ' CG2' HG21 ' A' ' 39' ' ' THR . 33.1 m -49.26 -21.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -136.71 -52.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -33.98 -63.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' OD2' ' A' ' 23' ' ' ASP . 3.3 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 HG12 ' CZ2' ' A' ' 33' ' ' TRP . 6.0 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HD2' ' CD1' ' A' ' 33' ' ' TRP . 18.5 Cg_endo -74.97 -28.81 8.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.534 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -62.93 -14.52 48.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -133.07 -174.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -130.92 -96.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.625 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.03 149.41 19.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.79 151.6 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 111.055 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 135.56 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.925 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -135.36 116.83 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -178.61 179.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.24 94.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.71 -140.31 3.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -139.22 159.62 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -129.39 117.54 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.01 129.77 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.09 -127.31 11.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -99.21 34.56 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 73' ' ' ASP . 42.4 t -133.37 146.86 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 19.3 m -138.55 122.7 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.667 HG23 ' HG3' ' A' ' 71' ' ' ARG . 97.7 m -117.71 129.74 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -152.04 172.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.84 136.29 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -118.99 108.39 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -103.51 101.41 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 158.46 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.513 ' C ' ' CG2' ' A' ' 35' ' ' THR . 32.5 mt-30 -134.88 166.61 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' C ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -126.63 125.99 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.89 -58.85 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.3 32.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.5 m -107.39 6.7 28.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 80.7 t80 60.01 12.09 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.05 94.5 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.74 92.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -145.75 138.66 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 5.6 mttt -95.68 151.73 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.5 m-85 -143.74 153.45 42.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.6 p -151.21 167.03 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HB3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -90.2 113.31 25.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.3 p -90.81 141.95 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.667 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtp180 -136.0 112.52 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.4 OUTLIER -109.47 152.93 24.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.643 ' CG ' HG22 ' A' ' 48' ' ' VAL . 1.2 t0 -136.18 131.83 35.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.66 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 23.6 pttt -94.56 -13.5 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -98.36 -22.6 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.22 -22.32 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 35.48 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 164.19 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.05 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.63 152.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' ARG . 35.4 t70 -146.62 136.18 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 70' ' ' VAL . 48.2 t -133.3 124.81 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.9 m -117.99 150.51 39.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.908 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -62.62 134.7 56.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.908 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -125.48 -58.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -134.69 -0.51 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -177.29 131.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -147.8 140.28 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 108' ' ' PHE . 33.8 t30 -131.79 125.54 32.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.11 143.06 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.734 ' CE2' ' CE1' ' A' ' 108' ' ' PHE . 73.9 m95 -114.66 147.59 39.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -141.08 145.16 35.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.886 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.2 m-85 -152.24 111.15 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.9 132.33 23.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 150.08 37.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -148.73 65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.1 -136.05 12.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.65 -23.84 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -106.01 159.21 16.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -110.12 147.7 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -106.74 127.96 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.886 HG13 ' CD1' ' A' ' 97' ' ' PHE . 56.5 t -122.42 134.31 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.734 ' CE1' ' CE2' ' A' ' 95' ' ' TRP . 24.0 t80 -123.82 119.59 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 5' ' ' VAL . 5.4 m -111.73 114.96 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.863 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.55 136.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.47 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 17.6 mt-10 -135.61 140.42 44.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HB3' HD12 ' A' ' 91' ' ' LEU . 18.0 p90 -164.88 157.69 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -117.48 120.33 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 1.092 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.9 m-85 -97.52 161.22 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.98 -53.87 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 m -78.92 123.28 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.44 76.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.84 -51.61 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 123' ' ' LEU . 80.0 mt -64.6 -26.8 68.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 2' ' ' HIS . 1.4 t0 -55.88 -51.52 67.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.78 -38.19 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -47.63 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.092 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -74.67 -49.2 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.55 -13.24 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.94 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.0 p30 -70.1 -23.0 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.469 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.25 -37.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.32 -53.19 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.0 mpt_? -54.89 -47.16 74.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.91 -43.23 81.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -67.11 -26.65 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.84 -41.84 61.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 2.2 ptpt -71.89 -45.91 59.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.814 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.8 -43.75 81.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 134' ' ' LEU . 55.6 mt -61.54 -47.21 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.0 72.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.03 -50.63 71.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.7 t80 -60.26 -39.52 87.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.91 -52.16 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.16 83.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -35.96 82.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.599 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -64.66 -43.15 94.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -32.75 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.35 -49.69 25.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 2' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.502 0.191 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.3 OUTLIER -62.61 121.58 13.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' CB ' ' HG2' ' A' ' 111' ' ' GLU . 8.0 ttp180 -104.74 128.28 52.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.653 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -103.54 130.75 51.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.634 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.22 130.47 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.872 HG11 ' HB1' ' A' ' 131' ' ' ALA . 10.4 t -130.62 105.69 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.5 m -109.15 139.68 43.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -144.73 158.4 43.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.019 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.8 t -136.36 132.6 49.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.019 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.0 mt -139.78 129.84 14.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 64.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.948 ' CE2' ' HB1' ' A' ' 142' ' ' ALA . 81.7 m-85 -130.76 167.26 19.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.4 p -72.09 161.05 80.91 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.0 -0.92 10.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.69 -48.69 58.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -27.95 42.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.98 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.0 mt -68.97 -38.96 79.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.28 -37.65 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -78.47 -28.84 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -74.93 -35.94 62.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.717 HG13 ' CG1' ' A' ' 79' ' ' ILE . 75.7 t -61.36 -38.17 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.55 14.94 59.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 27' ' ' TYR . 35.9 t70 -50.17 -19.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 39' ' ' THR . 7.0 m -67.05 -17.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.22 25.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -108.12 -94.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE1' ' OD1' ' A' ' 23' ' ' ASP . 29.4 m-85 54.34 90.53 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' HG2' ' CD ' ' A' ' 141' ' ' ARG . 18.1 Cg_endo -74.99 -2.27 12.32 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -75.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -179.51 -173.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.913 HG13 ' CE3' ' A' ' 33' ' ' TRP . 9.3 t -160.36 109.04 1.37 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.83 3.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.913 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -56.37 -21.65 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 HG23 ' N ' ' A' ' 35' ' ' THR . 1.0 OUTLIER -120.78 179.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -135.17 -91.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.407 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' H ' HG23 ' A' ' 35' ' ' THR . . . -88.29 150.04 21.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 6.0 tmm? -151.67 150.06 29.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 37' ' ' MET . 1.3 ttt180 -168.44 131.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 24' ' ' VAL . 23.7 p -136.22 119.1 16.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.451 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -178.57 -179.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 108.035 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 2.8 m-20 63.51 97.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.08 -136.21 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptt-85 -150.04 155.86 40.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.512 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.5 p -128.18 122.45 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -132.06 132.24 43.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.01 -132.44 6.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.986 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.76 35.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.593 HG22 ' CG ' ' A' ' 73' ' ' ASP . 38.3 t -135.63 149.42 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.512 ' OG ' HG23 ' A' ' 44' ' ' VAL . 24.1 m -145.22 136.93 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.42 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 16.1 m -136.09 123.04 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.448 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.582 ' O ' HG12 ' A' ' 70' ' ' VAL . 2.5 m -151.5 171.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.37 145.34 47.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -127.84 108.85 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.29 101.39 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.39 154.14 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 3.8 mt-30 -123.25 179.31 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.461 HG22 ' HE1' ' A' ' 66' ' ' PHE . 3.5 m -136.62 121.83 26.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.85 -93.79 0.82 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -75.65 54.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 61' ' ' PHE . 29.8 t -107.39 1.81 23.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CB ' ' O ' ' A' ' 60' ' ' SER . 7.5 t80 77.5 -6.43 1.99 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 64' ' ' GLU . 2.7 tt -142.52 96.88 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.95 93.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 8.5 mt-10 -144.64 166.13 26.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -121.02 162.41 19.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HE1' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -153.1 146.4 24.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 68' ' ' THR . . . -121.74 143.42 49.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.835 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -154.68 156.64 36.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -80.59 106.21 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.1 p -88.28 128.49 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -121.53 114.5 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.093 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.714 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -110.22 144.74 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.593 ' CG ' HG22 ' A' ' 48' ' ' VAL . 13.8 t0 -137.05 129.96 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.986 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.92 -13.39 22.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -25.53 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.27 -23.77 15.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.591 ' O ' ' CE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 61.1 35.92 18.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.4 159.28 39.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.033 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.717 ' CG1' HG13 ' A' ' 21' ' ' VAL . 8.1 mm -128.07 138.79 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -141.41 140.09 33.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.546 HG22 ' HA ' ' A' ' 70' ' ' VAL . 79.0 t -135.55 120.59 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.9 m -103.36 162.51 12.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.835 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -78.76 137.93 37.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.801 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.8 tt -120.54 -56.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.731 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.87 -39.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . 24.04 -140.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.0 3.17 5.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.566 1.824 . . . . 0.0 111.053 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER 73.86 45.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.961 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.48 -56.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 172.98 147.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -174.81 106.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -115.11 148.03 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -155.52 136.4 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 147.34 17.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.961 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -130.39 133.08 46.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' VAL . 1.5 mtt180 -139.19 153.14 47.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 2.2 p90 -153.82 136.86 15.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.08 158.43 58.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.31 35.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -157.64 87.76 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.06 -132.18 10.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -86.11 -20.8 28.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.79 167.88 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.69 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.42 148.64 32.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -112.66 130.44 56.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.961 HG11 ' CH2' ' A' ' 95' ' ' TRP . 59.7 t -122.12 140.23 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -125.8 135.88 52.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.35 118.44 27.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.0 m -99.78 123.68 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.13 124.7 70.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' HG2' ' CB ' ' A' ' 3' ' ' ARG . 26.3 mt-10 -137.18 122.94 19.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.4 p90 -153.49 157.16 39.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -115.76 128.21 55.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.205 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.2 m-85 -107.11 174.18 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 -54.42 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -79.11 124.68 28.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.76 -33.41 75.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.04 -50.91 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 119' ' ' LEU . 12.5 mt -66.6 -24.48 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.6 OUTLIER -58.87 -50.58 73.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.56 -36.31 57.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -44.69 95.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.205 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -74.63 -54.31 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.02 -18.03 12.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.66 -53.95 6.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 27.5 p30 -69.79 -10.98 60.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.48 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -53.11 -36.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -63.23 -50.02 71.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.431 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.3 mpt_? -56.45 -47.47 79.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -55.62 -44.58 77.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.872 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -67.95 -26.54 66.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.01 -36.84 73.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.482 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.8 ptpt -75.4 -45.65 37.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.802 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -58.35 -42.73 87.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 134' ' ' LEU . 65.8 mt -63.98 -57.39 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.93 60.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 8.4 t -63.58 -51.11 66.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 20' ' ' LEU . 2.3 t80 -61.51 -42.17 98.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.49 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -62.82 -45.66 91.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.21 -48.5 81.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.433 ' CD ' ' HG2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.37 -35.65 76.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.948 ' HB1' ' CE2' ' A' ' 12' ' ' TYR . . . -63.74 -43.78 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -72.65 -32.79 66.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -69.61 -30.42 68.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.01 -55.33 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -65.8 -36.9 84.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 38.46 42.63 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.464 0.173 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.573 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 -44.99 118.74 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -122.46 118.99 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.591 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -111.03 131.91 54.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.82 149.39 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG12 ' HE3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -140.69 117.47 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -121.84 128.74 51.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.594 ' HE3' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -137.12 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.618 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.5 t -134.9 125.24 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 9' ' ' VAL . 49.3 mt -129.99 115.56 17.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 67.64 5.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.56 -176.22 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -81.73 160.75 63.3 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.023 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.02 -6.19 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.52 -47.85 37.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -52.61 -34.25 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.023 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.87 -38.53 91.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.92 -35.39 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.29 -31.21 48.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -70.05 -46.5 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG22 ' CE1' ' A' ' 97' ' ' PHE . 54.1 t -61.5 -30.8 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -106.81 27.41 16.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.43 -10.4 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG2' HG21 ' A' ' 39' ' ' THR . 4.7 m -81.87 -17.53 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.87 12.26 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.635 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -118.35 -91.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.635 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.0 p90 37.71 88.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HG2' ' NE ' ' A' ' 141' ' ' ARG . 18.5 Cg_endo -75.01 -83.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.57 -83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -171.84 172.94 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 4.9 m -145.13 95.5 5.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.1 Cg_endo -74.98 -37.38 2.06 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.44 1.758 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.817 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -55.66 -19.13 9.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 35' ' ' THR . 1.4 tt -131.0 -177.44 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -130.21 -91.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.579 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -99.58 155.52 19.78 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.456 1.097 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.13 150.23 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.78 134.29 6.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.2 p -130.41 123.87 30.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.452 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.34 179.08 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 62.85 98.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.29 -144.0 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -140.63 164.92 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.12 126.75 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -133.29 132.79 41.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.94 -131.58 10.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.761 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -95.68 33.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' CG ' ' A' ' 73' ' ' ASP . 41.3 t -135.96 152.32 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -143.52 141.55 30.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 71' ' ' ARG . 31.4 m -134.87 124.97 25.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -151.84 171.49 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.77 138.22 41.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -124.17 108.48 12.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 67' ' ' ALA . 10.1 tt0 -100.3 100.75 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.16 17.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' C ' ' CG2' ' A' ' 35' ' ' THR . 4.9 mt-30 -125.19 -179.47 4.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.543 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -133.82 124.79 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 59' ' ' PHE . . . -138.77 76.28 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' GLY . 1.9 t80 161.64 -23.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.3 p -79.4 8.26 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.64 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 7.0 t80 63.68 9.27 4.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 93.85 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 92.34 2.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 57' ' ' VAL . 10.6 mt-10 -145.07 134.46 23.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 145.89 26.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.96 154.97 45.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -131.01 141.89 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.934 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.6 p -148.6 170.74 17.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -94.12 109.07 20.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 11.8 p -91.8 136.68 23.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.644 ' HG2' HG23 ' A' ' 50' ' ' THR . 74.2 mtt180 -126.89 113.17 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' CD ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.654 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.4 t0 -144.36 123.69 13.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.761 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 2.2 pttt -93.52 -5.3 49.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -96.64 -23.4 16.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -111.03 -23.77 10.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.37 35.85 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 163.73 26.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.462 HG22 ' HB2' ' A' ' 95' ' ' TRP . 0.1 OUTLIER -131.13 151.31 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.0 138.64 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 93' ' ' ASN . 36.8 t -134.79 123.69 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.5 m -119.93 150.81 39.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.934 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -60.94 132.44 53.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 85' ' ' TYR . 5.6 tt -123.26 -56.82 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.607 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -126.99 -4.61 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.85 -143.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 118.66 5.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.63 56.75 1.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.7 -47.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 169.1 122.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.53 109.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -140.78 162.85 34.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HB3' ' HB ' ' A' ' 81' ' ' VAL . 41.9 t30 -153.32 160.32 42.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.34 139.66 6.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.814 ' CZ2' ' CE1' ' A' ' 108' ' ' PHE . 90.5 m95 -116.98 146.02 43.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 3.1 mmm180 -142.22 146.9 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.789 ' CE1' HG22 ' A' ' 21' ' ' VAL . 1.9 m-85 -151.44 101.48 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.1 mtp -127.1 141.3 40.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.03 159.73 40.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' NH1' ' A' ' 105' ' ' ARG . 2.6 pt-20 -150.05 57.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 108.63 -124.63 7.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.12 -20.69 28.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.65 167.85 9.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -115.64 147.88 40.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NH1' ' CD ' ' A' ' 100' ' ' GLU . 7.6 ttm105 -113.63 135.96 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 97' ' ' PHE . 57.3 t -121.99 136.16 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.71 129.85 49.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CE1' ' CZ2' ' A' ' 95' ' ' TRP . 23.0 t80 -125.7 119.25 27.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -114.4 125.84 71.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.865 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -118.14 137.43 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.53 121.7 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.75 155.38 41.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -109.03 122.68 47.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.7 m-85 -102.05 173.65 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -54.28 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.1 m -85.06 120.7 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.43 71.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.66 -52.89 26.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.9 mt -62.95 -27.0 69.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.573 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -56.28 -51.61 67.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.699 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.36 -36.23 53.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.7 mt -74.86 -47.82 28.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.47 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -62.88 -13.8 38.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.37 -54.25 5.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.613 HD21 HD23 ' A' ' 123' ' ' LEU . 18.6 p30 -68.63 -20.34 64.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -48.25 -42.62 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -44.21 94.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -60.86 -54.34 46.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -55.35 -33.04 63.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.869 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.91 -47.9 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -54.3 -46.44 71.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.514 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 5.0 pttt -61.29 -42.7 99.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.869 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -58.1 -40.82 82.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.579 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 40.5 mm -63.76 -41.73 93.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.65 -33.74 76.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.84 -51.94 62.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.574 ' CD1' ' HG ' ' A' ' 20' ' ' LEU . 16.0 t80 -62.46 -41.83 99.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -61.19 -48.91 79.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -42.53 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.414 ' NE ' ' HG2' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -64.12 -34.91 79.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.2 -44.04 89.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -32.54 65.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.46 -31.67 70.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 20.6 tp -79.92 -55.46 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -64.77 -29.95 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.591 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -52.88 -57.62 13.94 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.466 0.174 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.612 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 29.3 m-70 -73.71 118.52 16.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.612 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 4.6 ttp180 -112.09 121.67 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.587 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -106.24 132.34 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 144.13 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.95 112.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.9 m -115.54 129.01 56.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.425 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.522 ' HZ3' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.06 162.24 33.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.739 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.6 p -135.07 130.18 51.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD23 ' O ' ' A' ' 9' ' ' VAL . 22.0 mt -136.16 120.29 12.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 64.45 6.09 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -139.86 171.35 14.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.0 p -72.44 161.05 81.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.1 Cg_endo -75.02 0.3 9.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.35 -45.94 71.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -52.87 -33.19 48.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 14' ' ' PRO . 6.2 mt -63.3 -39.33 94.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -46.11 -40.93 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.36 -26.72 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -74.55 -41.77 59.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.708 HG13 HD11 ' A' ' 79' ' ' ILE . 88.1 t -57.54 -30.28 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.65 26.63 11.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.81 -7.33 38.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.792 . . . . 0.0 109.308 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' CG2' HG21 ' A' ' 39' ' ' THR . 3.7 m -81.5 -21.74 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.589 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 5.4 t70 -121.95 -40.45 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG ' ' A' ' 27' ' ' TYR . . . -72.0 -98.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.803 ' CG ' ' O ' ' A' ' 26' ' ' ALA . 35.2 p90 47.87 164.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -91.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.25 40.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 1.1 t80 -134.78 -72.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.815 ' HB ' HG22 ' A' ' 34' ' ' ILE . 14.2 m 33.96 83.56 0.2 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.1 Cg_endo -75.07 -39.23 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.72 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -56.65 -19.98 19.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.026 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.815 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -128.76 -172.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.45 -90.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.441 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.67 155.04 21.14 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.83 151.89 16.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.42 131.83 4.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.566 HG21 ' CG2' ' A' ' 24' ' ' VAL . 67.6 p -130.85 120.97 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.08 179.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 0.9 OUTLIER 63.67 98.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.59 -142.53 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -143.9 152.49 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -119.8 126.55 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.9 131.35 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.18 -130.4 6.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.443 1.089 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -96.46 36.96 1.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.602 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.1 t -136.58 149.09 26.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.5 m -137.66 131.36 31.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.681 HG23 ' HG3' ' A' ' 71' ' ' ARG . 84.4 m -127.58 124.54 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.39 172.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.3 146.75 38.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -131.72 107.86 9.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.624 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -104.08 101.2 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.38 157.79 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' C ' ' CG2' ' A' ' 35' ' ' THR . 1.5 mt-30 -126.18 -179.68 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.487 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.26 125.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.31 159.57 22.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 56.35 16.28 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -107.28 8.45 29.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.653 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 6.3 t80 62.15 10.12 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.82 94.86 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.13 92.75 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -144.95 151.05 38.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -119.66 158.68 25.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 11.0 m-85 -153.59 152.47 30.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.624 ' HB2' ' CG ' ' A' ' 54' ' ' GLU . . . -131.35 141.75 49.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.949 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -150.81 159.21 44.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -79.77 110.99 15.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.9 ' HA ' HG22 ' A' ' 81' ' ' VAL . 4.4 p -87.39 133.49 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.681 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.3 mtt-85 -128.13 124.77 37.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.71 153.18 46.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.231 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.602 ' CG ' HG22 ' A' ' 48' ' ' VAL . 37.3 t0 -143.79 131.84 21.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.805 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.63 -9.92 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -96.95 -23.34 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.89 -27.28 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.6 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -130.13 161.4 31.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.708 HD11 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -123.96 140.6 46.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -150.48 137.18 19.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.9 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.5 t -139.79 131.53 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.5 m -119.23 159.18 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.949 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.8 tp -64.47 135.75 56.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tt -122.89 -57.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -4.15 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -59.46 -150.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.63 2.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.537 ' HA ' HD21 ' A' ' 83' ' ' LEU . 35.4 m-85 -68.45 91.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.792 ' HE3' ' HB1' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -169.08 -50.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 168.6 120.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.767 HD12 ' CB ' ' A' ' 112' ' ' PHE . 2.1 tt -165.53 114.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.3 148.23 49.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.6 109.55 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.21 147.77 17.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.623 ' CZ2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -145.54 128.8 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.472 ' CD ' ' HB3' ' A' ' 78' ' ' SER . 2.5 mmt180 -134.81 159.0 42.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.853 ' CD2' HD13 ' A' ' 17' ' ' LEU . 1.4 p90 -150.45 135.63 17.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.7 mtt -144.96 157.2 54.71 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.446 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 18.2 Cg_endo -75.01 150.11 37.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 99' ' ' PRO . 21.8 mt-10 -162.99 95.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.34 -134.55 12.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.39 -26.17 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.74 167.37 10.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.05 147.92 26.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 131.99 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.623 HG11 ' CZ2' ' A' ' 95' ' ' TRP . 82.4 t -121.59 141.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -127.52 124.24 37.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 8.0 t80 -120.55 121.54 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.85 139.92 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.2 pp -126.4 122.57 61.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 4.7 mt-10 -136.02 127.85 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 110' ' ' ILE . 1.1 p90 -156.51 160.93 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.792 ' HB1' ' HE3' ' A' ' 89' ' ' LYS . . . -107.59 121.53 44.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 120' ' ' ASP . 1.6 m-85 -102.2 171.89 7.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -51.85 5.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.74 113.17 24.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.39 -28.7 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.65 -54.1 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.92 -23.99 66.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -59.25 -52.1 67.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.84 -35.37 51.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -50.68 73.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.657 HD23 HD21 ' A' ' 126' ' ' ASN . 4.0 mt -75.37 -40.8 57.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -64.48 -16.62 62.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.43 -54.14 7.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.657 HD21 HD23 ' A' ' 123' ' ' LEU . 8.5 p30 -68.21 -25.03 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.22 -41.06 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -62.17 -46.86 87.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' ASN . 5.2 mmt180 -60.91 -54.16 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.89 -35.25 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.833 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -70.78 -34.17 71.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.19 95.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.501 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.3 pttt -70.27 -41.68 73.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 0.736 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.833 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -60.51 -42.51 96.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.522 HG12 ' HZ3' ' A' ' 8' ' ' LYS . 71.5 mt -63.19 -46.17 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.15 74.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 6.0 t -61.22 -51.42 69.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 14.8 t80 -62.42 -40.68 97.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -51.1 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.08 -43.78 82.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -36.52 81.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.94 92.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.51 ' O ' ' CA ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -71.65 -32.36 67.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -73.13 -28.1 62.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -60.01 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.605 ' CG ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -80.25 -59.12 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.626 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.605 ' N ' ' CG ' ' A' ' 146' ' ' HIS . . . 34.06 39.5 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.486 ' H ' ' CE1' ' A' ' 146' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 112' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.521 0.2 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CE1' ' OD1' ' A' ' 120' ' ' ASP . 0.4 OUTLIER -72.4 151.65 42.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.626 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -133.31 117.29 17.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.699 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -99.26 127.45 45.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -105.25 145.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 135' ' ' ILE . 1.8 t -145.0 104.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -114.94 122.05 45.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 168.06 14.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.599 ' O ' HD23 ' A' ' 10' ' ' LEU . 75.3 t -135.25 120.91 30.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 138' ' ' PHE . 20.7 mt -119.53 119.94 31.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -74.96 62.85 5.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.438 1.757 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -143.85 177.29 8.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 p -70.41 159.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.31 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -67.95 -39.25 83.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 138' ' ' PHE . 3.2 mp0 -53.41 -25.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD21 HG21 ' A' ' 106' ' ' VAL . 15.8 mt -68.2 -42.23 80.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -39.76 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.2 -27.56 47.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 138' ' ' PHE . 2.0 mt -77.4 -40.91 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.919 HG13 HG13 ' A' ' 79' ' ' ILE . 74.2 t -61.64 -38.44 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.88 21.85 41.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -66.96 -8.51 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 17.6 m -84.66 -18.17 9.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -136.37 10.95 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.634 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.1 -90.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.4 p90 37.9 93.45 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.02 4.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.43 169.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.771 ' O ' HG13 ' A' ' 31' ' ' VAL . 2.1 t80 62.87 108.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -169.98 71.33 0.63 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.99 -53.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.517 1.798 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.689 ' CZ2' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.0 -31.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 107.977 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.692 HD11 ' HB1' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -122.48 -169.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.585 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -139.97 -91.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.585 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.37 156.54 22.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.461 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.3 pmm? -161.75 151.78 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.88 131.3 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 31.4 p -133.36 120.65 21.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.84 176.63 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.93 100.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 177.2 -136.05 2.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -144.32 156.23 44.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.7 p -132.51 119.08 37.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -130.83 128.83 41.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.28 -130.63 8.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.86 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.54 35.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.3 t -133.82 146.9 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.662 ' OG ' HG23 ' A' ' 44' ' ' VAL . 9.3 m -145.55 131.56 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.844 HG23 ' HG3' ' A' ' 71' ' ' ARG . 57.5 m -131.91 128.12 37.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.4 m -152.35 172.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.96 140.45 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.07 114.23 20.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -110.39 100.99 9.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -106.31 164.62 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' C ' ' CG2' ' A' ' 35' ' ' THR . 25.5 mt-30 -128.94 -178.8 4.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.558 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -134.05 125.38 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -137.67 68.26 0.52 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 172.63 -27.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.3 OUTLIER -76.82 8.04 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.654 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 63.44 10.0 4.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.44 93.8 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.31 91.99 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.7 mt-10 -145.57 134.02 21.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -95.03 153.01 17.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -146.9 155.15 42.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.46 142.27 47.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.866 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.2 p -150.74 162.23 41.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' HG3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -85.38 112.3 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.9 p -93.29 136.09 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.844 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.4 mtp180 -128.37 118.35 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.8 OUTLIER -115.19 152.1 33.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.55 ' CG ' HG22 ' A' ' 48' ' ' VAL . 8.8 t0 -146.44 126.62 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.86 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.25 -20.98 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -88.69 -27.5 21.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -97.07 -22.96 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' O ' ' CD2' ' A' ' 97' ' ' PHE . 3.3 mtm-85 60.74 35.35 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 163.78 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.919 HG13 HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -139.24 141.49 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -148.87 141.79 24.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 70' ' ' VAL . 14.2 t -137.07 133.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.1 m -114.83 152.86 31.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.91 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -74.42 136.71 42.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.91 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -124.07 -59.25 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.3 OUTLIER -134.16 -2.36 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -47.29 -106.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.509 1.13 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.895 ' HD2' HD13 ' A' ' 83' ' ' LEU . 18.3 Cg_endo -74.99 0.43 8.92 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' PRO . 2.6 t80 37.15 41.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.28 -60.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.456 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -171.59 126.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.3 OUTLIER -175.72 146.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.12 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -141.54 129.79 22.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -139.8 145.31 16.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.758 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 84.0 m95 -126.59 112.44 15.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 0.7 OUTLIER -112.68 149.37 32.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.693 ' HZ ' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -131.19 130.46 43.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.85 115.92 4.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.3 Cg_endo -75.0 156.86 43.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.441 1.759 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.54 60.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.27 -136.54 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -70.07 -30.76 68.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.73 163.05 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -120.39 147.4 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -115.3 130.22 56.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 HD21 ' A' ' 17' ' ' LEU . 61.9 t -120.29 141.28 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.53 127.62 48.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.766 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 5.0 t80 -120.01 117.32 27.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.32 131.19 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.766 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -129.54 137.36 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -136.38 138.27 41.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 1' ' ' MET . 1.0 OUTLIER -136.87 171.73 14.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -140.53 120.97 14.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 47.5 m-85 -128.27 158.18 38.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -40.72 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -83.61 109.58 17.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.37 -24.05 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.69 -57.93 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.89 -26.87 66.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.606 ' OD1' ' CE1' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -57.74 -51.48 69.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.723 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -79.03 -32.57 45.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -49.35 76.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.685 HD23 HD21 ' A' ' 126' ' ' ASN . 6.5 mt -75.73 -45.8 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.571 ' HB2' ' CE1' ' A' ' 2' ' ' HIS . . . -63.65 -16.19 60.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -75.79 -53.41 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.685 HD21 HD23 ' A' ' 123' ' ' LEU . 7.9 p30 -66.5 -27.64 67.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.699 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.26 -40.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.11 -45.55 91.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' ASN . 8.5 mmt85 -58.82 -49.57 77.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.34 82.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.358 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.412 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -69.42 -29.19 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.31 -47.72 28.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.43 -33.81 76.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.689 HD12 ' CZ2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -68.35 -41.19 81.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.532 HG13 HD23 ' A' ' 134' ' ' LEU . 53.1 mt -62.77 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.42 77.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.524 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 38.3 t -63.09 -51.43 66.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.345 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.714 ' CE2' HD12 ' A' ' 10' ' ' LEU . 14.8 t80 -60.11 -39.03 84.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -64.48 -49.28 72.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.91 91.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.569 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -63.7 -36.2 83.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.14 -42.66 96.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.88 -32.68 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.569 HE22 ' NH2' ' A' ' 141' ' ' ARG . 25.3 tt0 -69.01 -35.11 76.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -75.12 -54.75 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -64.51 -31.19 72.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.09 -56.65 22.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.434 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 47.2 m-70 -41.25 139.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 5.6 ttt180 -135.28 116.45 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.679 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.3 OUTLIER -106.69 131.84 53.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.604 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.72 133.09 54.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.67 103.45 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -112.59 135.31 53.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' NZ ' HD11 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -144.13 169.41 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.768 ' O ' HD23 ' A' ' 10' ' ' LEU . 73.5 t -134.89 124.57 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 9' ' ' VAL . 6.8 mt -125.83 120.04 24.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 76.88 3.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CE2' ' HD2' ' A' ' 11' ' ' PRO . 66.1 m-85 -149.74 -177.93 6.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.7 p -76.78 161.24 74.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.711 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 0.82 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.36 -45.41 69.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 16.3 mt-30 -52.16 -23.0 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 14' ' ' PRO . 4.9 mt -75.12 -42.02 57.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -45.12 -37.45 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.21 -33.82 43.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -72.57 -39.49 67.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.925 HG13 ' CG1' ' A' ' 79' ' ' ILE . 78.0 t -61.12 -40.11 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.4 15.76 58.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 21.4 t0 -50.17 -21.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.1 m -66.78 -12.4 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.33 25.9 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -110.45 -88.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 73.4 m-85 55.84 91.47 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' NH2' ' A' ' 141' ' ' ARG . 18.3 Cg_endo -74.98 -7.63 19.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.7 ' HG2' HH21 ' A' ' 141' ' ' ARG . 0.0 OUTLIER -152.68 -69.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -179.09 172.68 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.05 HG13 ' CE3' ' A' ' 33' ' ' TRP . 48.0 t -144.74 108.41 4.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.16 3.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.05 ' CE3' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -58.47 -16.03 13.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 107.971 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -131.75 178.13 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -129.64 -94.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.388 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.601 ' H ' HG23 ' A' ' 35' ' ' THR . . . -101.25 151.83 18.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -162.34 152.32 16.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.07 133.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.554 HG21 ' HB ' ' A' ' 24' ' ' VAL . 82.4 p -126.31 120.26 29.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.25 177.42 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 65.76 100.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.32 -144.82 7.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -142.95 153.05 42.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.47 124.76 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -133.14 130.69 39.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.12 -132.59 6.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.912 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -93.2 35.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.5 t -134.62 148.49 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.35 131.55 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.045 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.645 HG23 ' HG3' ' A' ' 71' ' ' ARG . 54.9 m -130.48 125.04 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.681 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -151.92 171.89 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -79.37 136.18 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -122.88 108.12 12.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 37' ' ' MET . 15.6 tt0 -103.89 99.9 9.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.7 171.48 8.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.51 ' C ' ' CG2' ' A' ' 35' ' ' THR . 53.8 mt-30 -136.85 174.74 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 64' ' ' GLU . 1.2 m -130.25 123.53 55.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -123.75 153.25 17.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.69 15.09 3.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 81.5 p -101.75 8.21 41.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.643 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 4.1 t80 62.82 9.15 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.0 tt -138.94 94.08 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.77 94.14 6.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.9 mt-10 -144.59 132.66 21.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -95.45 156.61 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 14.9 m-85 -146.73 152.77 39.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 85' ' ' TYR . . . -126.82 141.33 51.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.904 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -153.3 157.86 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.681 ' HE ' HH21 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -82.74 109.86 17.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 51' ' ' VAL . 10.1 p -89.77 135.62 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.681 HH21 ' HE ' ' A' ' 69' ' ' ARG . 4.3 mtt180 -127.62 128.62 45.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -127.87 146.95 50.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.566 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 43.2 t0 -143.2 116.82 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.912 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.33 -25.86 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -101.17 -22.27 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 60.01 36.4 21.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.78 161.6 33.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.925 ' CG1' HG13 ' A' ' 21' ' ' VAL . 1.7 mm -133.17 139.88 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.42 140.14 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.7 t -134.47 136.02 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.8 m -119.68 158.56 26.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.904 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.2 OUTLIER -67.4 134.42 51.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.754 ' N ' HD22 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -124.32 -60.64 1.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.623 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -128.15 -2.43 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.988 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.04 -135.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.542 ' CD ' HD13 ' A' ' 91' ' ' LEU . 18.5 Cg_endo -74.96 127.64 10.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -82.73 72.24 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.84 -52.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 175.46 138.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.542 HD13 ' CD ' ' A' ' 87' ' ' PRO . 8.3 tt -176.18 130.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -152.07 148.51 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -149.93 149.06 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.94 148.01 14.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 108' ' ' PHE . 57.2 m95 -119.22 126.65 52.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.77 146.77 42.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.891 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.9 m-85 -145.22 111.84 5.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.4 136.5 29.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.22 40.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -152.2 64.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.46 -136.74 12.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.115 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.64 -26.9 60.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -105.88 167.12 10.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 147.39 43.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.429 ' HG3' HG22 ' A' ' 9' ' ' VAL . 5.0 ttm180 -105.77 133.64 50.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.622 HG13 ' CD1' ' A' ' 97' ' ' PHE . 57.9 t -120.68 138.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -129.53 123.25 30.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.796 ' CE2' ' CH2' ' A' ' 95' ' ' TRP . 3.9 t80 -113.12 119.86 39.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.6 m -103.44 123.37 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.89 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.1 pp -117.4 119.63 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 36.1 mt-10 -136.48 118.37 15.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.89 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.5 p90 -149.14 157.25 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -112.1 121.13 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.734 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.5 m-85 -95.37 161.58 14.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -52.98 6.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.6 m -85.43 128.13 34.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.75 73.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.53 -46.65 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HB3' HD12 ' A' ' 123' ' ' LEU . 13.3 mt -69.5 -24.16 63.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.8 OUTLIER -59.07 -51.2 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -74.8 -35.55 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -48.55 78.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.734 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.7 mt -75.0 -40.92 60.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -69.96 -14.22 62.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.94 -54.34 5.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.3 p30 -69.8 -25.18 63.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.679 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -41.72 -34.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.76 -52.98 54.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER -59.77 -53.01 63.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.435 ' CA ' ' HE2' ' A' ' 133' ' ' LYS . . . -54.49 -37.08 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.67 -45.39 90.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -55.28 -45.93 81.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HE3' ' CB ' ' A' ' 33' ' ' TRP . 2.3 pttt -60.84 -42.25 97.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.735 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -57.65 -41.0 80.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.455 HD11 ' NZ ' ' A' ' 8' ' ' LYS . 29.3 mm -66.6 -50.04 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.91 63.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.1 t -67.89 -51.38 48.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 2.8 t80 -60.65 -44.9 95.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.51 -48.95 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.81 73.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.7 HH21 ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -65.49 -35.39 80.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.404 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -64.64 -41.5 96.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 146' ' ' HIS . 1.6 tt0 -75.23 -32.89 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -71.49 -36.54 71.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.85 -59.9 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -72.35 -8.32 54.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.589 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.16 -67.81 1.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.201 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.606 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.3 m-70 -60.72 124.51 20.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -120.2 125.62 48.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.654 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -108.76 140.9 41.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -111.06 139.12 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.426 HG11 ' HB1' ' A' ' 131' ' ' ALA . 2.2 t -136.41 108.04 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -120.34 119.41 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 155.0 39.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p -126.55 114.37 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -117.51 121.03 32.5 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.92 63.53 5.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -131.1 177.77 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -76.56 161.54 74.01 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.04 -3.59 14.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -72.4 -46.63 54.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -54.15 -23.69 15.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.4 mt -71.05 -41.52 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.17 -36.62 3.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.28 -28.96 47.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.572 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 1.3 mt -71.29 -39.99 71.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.863 HG22 ' CZ2' ' A' ' 95' ' ' TRP . 12.7 t -59.81 -43.21 91.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -97.33 24.63 30.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 20' ' ' LEU . 8.7 t70 -67.38 -7.16 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.634 ' HB ' HG21 ' A' ' 39' ' ' THR . 15.9 m -87.17 -18.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -131.37 6.61 4.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.656 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -123.34 -90.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.656 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 44.3 p90 40.23 58.64 7.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 54.17 3.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HB3' ' CD ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -158.89 -157.16 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 32' ' ' PRO . 3.9 t80 -92.48 136.17 33.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.752 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 25.8 m -138.72 80.92 24.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.0 -40.39 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.752 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -52.76 -21.29 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.5 tt -127.12 -177.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.56 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -136.08 -91.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.56 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -90.45 148.16 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 42.1 tpp -153.97 147.91 25.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -167.36 131.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.634 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.1 p -135.73 118.84 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.43 179.48 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.26 92.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.69 -136.82 2.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 162.68 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 110.243 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.1 p -134.5 119.92 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -130.2 131.12 45.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.72 -131.57 7.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.88 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.92 35.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.8 148.04 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.498 ' OG ' HG23 ' A' ' 44' ' ' VAL . 59.1 m -141.88 134.2 27.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.515 HG23 ' HG3' ' A' ' 71' ' ' ARG . 47.3 m -129.3 126.84 39.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -151.36 172.19 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -75.89 144.67 41.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -123.61 109.08 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.62 101.95 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.25 153.0 30.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.423 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.1 mt-30 -124.46 -178.73 4.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.8 OUTLIER -137.78 124.92 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.72 -60.23 0.49 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.43 33.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 4.0 m -106.54 6.64 30.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 60' ' ' SER . 28.8 t80 62.79 13.35 6.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HA ' HD12 ' A' ' 62' ' ' LEU . 3.8 tp -145.13 113.24 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -83.91 90.96 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.37 164.58 31.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.28 157.33 36.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -146.61 154.73 41.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' THR . . . -136.67 139.52 42.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.886 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -154.39 155.31 34.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -80.11 110.28 15.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.6 p -88.2 135.55 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.5 mtp180 -123.58 114.8 20.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 72' ' ' ARG . 4.2 mtm105 -108.65 148.23 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 33.4 t0 -141.26 127.77 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.88 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.43 -12.06 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -95.36 -22.89 17.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.34 -21.93 13.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' O ' ' CZ3' ' A' ' 95' ' ' TRP . 1.8 mtm105 61.18 33.66 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.74 160.63 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.694 HG22 ' CD1' ' A' ' 95' ' ' TRP . 0.0 OUTLIER -128.16 152.24 36.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -151.55 137.83 18.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG12 ' HB ' ' A' ' 68' ' ' THR . 28.4 t -127.16 138.27 55.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.2 m -118.9 154.59 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.886 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -71.37 130.84 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.838 HD23 ' HB2' ' A' ' 85' ' ' TYR . 1.8 tt -124.86 -56.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.838 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -133.47 -1.53 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -53.39 -117.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.02 1.75 7.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.682 ' HA ' HD11 ' A' ' 83' ' ' LEU . 1.4 t80 33.31 45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 -55.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.21 124.42 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.431 ' C ' HD23 ' A' ' 91' ' ' LEU . 6.3 tt -176.82 127.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.34 146.58 42.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -141.94 157.9 44.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.9 163.05 20.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.863 ' CZ2' HG22 ' A' ' 21' ' ' VAL . 12.4 p-90 -149.18 151.0 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.91 142.34 42.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' ' CH2' ' A' ' 95' ' ' TRP . 20.4 m-30 -94.14 145.44 24.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.07 93.46 2.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 148.99 36.08 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 57.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.13 -130.01 8.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.09 -19.86 35.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.17 167.44 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 HD11 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -127.72 146.62 50.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.48 125.8 46.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.7 t -110.98 141.76 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' TRP . 7.2 mt-10 -126.09 131.43 52.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.4 118.94 26.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 m -99.11 125.66 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.846 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.4 pp -113.31 123.35 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -136.36 117.59 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.846 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.0 p90 -146.79 160.79 41.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -110.56 129.08 55.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.831 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -108.58 169.23 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -54.38 4.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 m -93.12 121.8 34.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -31.88 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.87 -50.19 63.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.87 -24.62 66.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.606 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.1 t0 -58.68 -52.13 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.678 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.09 -34.98 61.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -49.04 77.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.831 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.9 mt -75.66 -42.94 49.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -66.84 -14.37 62.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.49 -53.28 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.536 HD21 HD23 ' A' ' 123' ' ' LEU . 6.0 p30 -69.12 -24.08 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.646 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.23 -44.04 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.9 t0 -62.24 -44.32 96.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . 0.5 OUTLIER -59.59 -49.1 79.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.22 84.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.559 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -63.3 -32.31 73.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.39 85.59 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.493 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 8.8 pttt -72.18 -37.72 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.744 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.783 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.92 -40.15 87.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.57 -35.77 62.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.69 -30.74 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.61 -50.37 58.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.572 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 62.7 t80 -65.75 -45.62 81.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -47.68 83.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.92 80.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.416 ' CD ' ' HB3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.79 -35.46 80.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.12 95.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -72.96 -32.84 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.01 78.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.07 -56.5 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -63.44 -30.2 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.634 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -52.87 -56.17 19.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.315 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.69 ' HG2' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.468 0.175 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.62 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 17.0 m-70 -58.59 118.39 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -132.43 143.26 49.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.654 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -127.86 131.04 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.591 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 2.2 p -103.76 152.55 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.648 HG11 HD11 ' A' ' 135' ' ' ILE . 1.3 t -148.81 115.81 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 m -119.06 113.47 20.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 160.03 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' O ' HD23 ' A' ' 10' ' ' LEU . 9.6 p -136.49 122.73 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -137.46 130.31 16.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.0 70.16 5.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -129.85 168.66 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 13' ' ' THR . 3.3 p -80.59 166.45 39.45 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.05 -1.29 11.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 18' ' ' PHE . 8.1 t0 -74.87 -48.03 27.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' OE1' ' HB1' ' A' ' 142' ' ' ALA . 1.9 mm-40 -51.26 -39.74 57.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.002 HD12 ' HA ' ' A' ' 14' ' ' PRO . 2.3 mt -59.25 -39.0 81.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CB ' ' O ' ' A' ' 15' ' ' ASP . 17.3 t80 -45.95 -39.48 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -77.26 -32.25 55.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -71.77 -35.73 70.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.011 HG13 HD11 ' A' ' 79' ' ' ILE . 79.3 t -60.38 -34.66 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.08 27.68 16.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 5.7 t70 -71.05 -6.76 41.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.752 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG23 HG21 ' A' ' 39' ' ' THR . 20.7 m -79.68 -14.21 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.509 ' O ' ' CE1' ' A' ' 27' ' ' TYR . 16.7 t70 -133.49 -36.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.735 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -80.69 -93.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.735 ' O ' ' O ' ' A' ' 26' ' ' ALA . 50.9 p90 44.07 162.46 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -159.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -107.94 21.33 17.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HD2' ' HG ' ' A' ' 137' ' ' CYS . 27.3 t80 -136.81 103.87 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.578 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.5 m -146.31 83.28 8.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.01 -41.48 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.578 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.28 -22.24 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 108.03 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.56 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.0 tt -128.85 -179.1 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -127.65 -90.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.572 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.92 152.33 19.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 22.5 tpp -154.47 151.34 28.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -163.46 139.35 6.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.642 HG21 HG23 ' A' ' 24' ' ' VAL . 51.4 p -135.82 119.27 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.498 ' NE1' ' ND2' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -179.38 177.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.498 ' ND2' ' NE1' ' A' ' 40' ' ' TRP . 1.2 m-20 65.82 100.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.86 -144.15 7.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.62 160.28 40.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.3 p -130.92 124.4 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -134.25 132.9 40.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.84 -131.29 6.53 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -95.34 37.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.64 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.6 t -136.42 149.34 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.4 130.46 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.707 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.9 m -127.48 125.82 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 110.369 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.21 172.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -80.03 138.97 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -114.93 107.95 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -96.01 100.61 12.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -112.07 153.88 26.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' CG2' ' A' ' 35' ' ' THR . 3.8 mt-30 -124.66 179.84 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.542 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -135.7 125.15 40.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.98 -47.22 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.559 1.162 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 37.3 t80 -75.6 -5.46 45.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 0.747 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.9 OUTLIER -85.51 5.02 33.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.623 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 16.8 t80 58.81 12.12 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tp -128.03 105.38 8.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 92.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -145.34 158.09 43.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -126.03 152.53 45.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -151.97 156.91 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.33 141.97 47.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.922 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.1 p -147.71 156.86 43.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 3.3 tpt180 -78.47 112.08 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.701 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.0 p -93.83 131.8 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.707 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -124.48 125.49 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -126.72 152.89 46.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 25.6 t0 -145.91 129.84 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.795 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 4.3 pttt -90.83 -11.8 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.9 -24.04 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.654 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -99.86 -28.25 13.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 60.85 38.14 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.43 160.72 33.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 1.011 HD11 HG13 ' A' ' 21' ' ' VAL . 16.4 mm -125.6 137.77 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -143.14 139.4 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 70' ' ' VAL . 7.0 t -139.04 135.87 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.1 m -122.46 155.63 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.979 HD12 ' N ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -74.05 132.56 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.979 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -124.04 -56.22 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -132.54 -1.95 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -51.57 -113.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.4 Cg_endo -74.99 0.94 8.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.449 1.763 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 87' ' ' PRO . 6.4 t80 35.63 39.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.31 -58.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.31 123.38 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' CD2' HG21 ' A' ' 68' ' ' THR . 3.7 tt -176.63 145.96 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.85 165.85 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -155.21 118.23 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.32 141.66 12.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.859 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -143.22 131.55 22.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -138.91 158.98 43.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.865 ' CD2' HD13 ' A' ' 17' ' ' LEU . 14.6 p90 -154.72 145.47 22.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.405 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -151.32 138.12 11.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -74.99 149.52 36.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -177.94 176.55 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 37.98 -132.46 1.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -99.82 -21.45 15.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -128.77 164.49 22.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -92.77 148.36 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.383 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -114.13 127.61 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.859 HG11 ' CH2' ' A' ' 95' ' ' TRP . 57.7 t -120.04 139.49 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -123.87 127.75 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.603 ' CE1' HG22 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -125.66 108.44 11.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 109' ' ' VAL . 26.8 m -108.32 118.42 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.843 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -107.47 134.49 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 88.2 mt-10 -124.17 147.67 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -173.87 159.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.69 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -123.36 120.33 32.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.865 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.7 m-85 -96.77 170.23 9.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 -52.31 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.6 m -81.99 119.5 24.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.36 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 118' ' ' LEU . 3.2 mm? -70.43 -54.07 13.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.51 -26.71 68.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.62 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 2.4 t0 -56.52 -51.57 68.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.95 -37.47 55.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -48.88 79.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.865 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.0 mt -74.85 -47.61 29.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.51 -13.14 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.4 -53.63 6.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.487 HD21 HD23 ' A' ' 123' ' ' LEU . 11.4 p30 -71.74 -25.01 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.623 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -44.47 -42.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.23 -44.93 93.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -59.71 -49.47 77.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.37 78.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.648 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.17 -35.4 80.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.84 -45.86 91.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.088 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.464 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 10.0 pttt -69.1 -41.03 77.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.766 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -61.86 -41.54 97.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.648 HD11 HG11 ' A' ' 6' ' ' VAL . 31.9 mt -62.61 -47.28 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.37 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.401 ' HG ' ' HD2' ' A' ' 30' ' ' PHE . 28.3 t -62.05 -50.99 69.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.463 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -60.92 -39.01 87.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.028 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.484 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.91 -51.5 66.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.52 72.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -37.02 85.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.499 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -63.82 -43.49 96.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.4 OUTLIER -72.45 -32.78 66.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -67.21 -34.49 77.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 -51.85 9.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -65.11 -31.52 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.59 -55.56 29.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.651 ' SD ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.483 0.182 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.598 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 35.2 m-70 -41.31 118.93 1.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -125.31 117.82 24.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.244 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.68 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.12 142.44 41.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 16.2 t -105.11 145.63 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.683 HG12 HD11 ' A' ' 135' ' ' ILE . 2.9 t -150.52 103.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.163 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -121.42 124.4 44.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -129.4 158.52 38.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.636 ' O ' HD23 ' A' ' 10' ' ' LEU . 55.4 t -136.69 130.26 46.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 9' ' ' VAL . 1.2 mt -139.67 130.47 14.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.97 56.25 4.18 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.5 m-85 -115.17 161.32 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.6 p -66.0 162.79 42.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.878 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -1.47 11.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 14.3 t0 -74.56 -48.04 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -51.48 -23.0 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.878 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.3 mt -69.13 -44.99 71.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -45.13 -32.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -78.62 -35.41 45.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.632 HD11 ' CG ' ' A' ' 138' ' ' PHE . 2.9 mt -75.89 -38.23 58.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG22 ' CE2' ' A' ' 97' ' ' PHE . 40.6 t -61.73 -35.56 68.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -104.71 23.26 31.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.82 -16.22 6.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.586 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.5 m -83.96 -12.19 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.6 14.21 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.629 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -119.91 -94.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.632 ' O ' ' CD2' ' A' ' 27' ' ' TYR . 41.4 p90 39.88 99.05 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -38.49 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.6 -177.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.357 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CZ ' ' NZ ' ' A' ' 133' ' ' LYS . 14.3 t80 56.66 61.12 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 1.9 m -141.53 69.28 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HD2' ' CD ' ' A' ' 133' ' ' LYS . 18.5 Cg_endo -74.95 -37.41 2.08 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.478 1.778 . . . . 0.0 111.045 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -48.61 -23.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -123.42 176.12 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.586 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -135.35 -90.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.546 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.71 154.85 20.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.62 151.69 18.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.81 132.13 5.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CG2' ' A' ' 24' ' ' VAL . 70.8 p -131.66 118.56 20.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.35 179.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.9 97.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 175.3 -149.04 9.89 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -135.39 160.03 39.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -125.31 127.81 72.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -134.27 130.95 37.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.97 -131.71 6.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.902 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.44 36.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.675 HG22 ' CG ' ' A' ' 73' ' ' ASP . 33.7 t -136.53 149.09 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.59 133.44 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 71' ' ' ARG . 83.8 m -127.72 122.4 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.3 m -152.22 172.27 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.32 139.6 38.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -125.58 111.94 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -104.09 100.21 9.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.68 154.73 18.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.466 ' C ' ' CG2' ' A' ' 35' ' ' THR . 15.7 mt-30 -125.23 178.71 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.505 ' C ' HG21 ' A' ' 35' ' ' THR . 1.4 m -135.24 126.0 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.33 -65.43 0.58 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.0 35.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.4 m -108.05 5.53 26.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 55.4 t80 59.9 11.61 2.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -139.12 94.62 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 91.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -145.54 161.22 40.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.1 ptmt -121.02 150.97 40.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 3.5 m-85 -146.94 147.2 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 68' ' ' THR . . . -125.79 141.6 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.78 156.43 40.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.392 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.0 ttt180 -78.14 110.02 12.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.1 p -88.29 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.37 114.78 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 0.1 OUTLIER -109.65 155.46 21.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.675 ' CG ' HG22 ' A' ' 48' ' ' VAL . 15.0 t0 -147.33 126.35 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.902 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -92.01 -10.75 38.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.54 -23.09 15.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.536 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.17 -26.71 12.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 9.2 mmt-85 61.92 36.51 15.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.492 ' O ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -131.63 153.39 49.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.752 HD11 ' CG1' ' A' ' 21' ' ' VAL . 20.7 mm -119.93 142.55 34.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -144.55 137.26 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 70' ' ' VAL . 98.2 t -135.33 130.58 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.9 m -120.78 161.81 20.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.919 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.7 tp -63.86 131.35 47.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.7 tt -123.4 -56.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.558 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -129.62 -4.2 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.94 -150.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.638 ' HA ' HD21 ' A' ' 83' ' ' LEU . 60.9 m-85 -61.42 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.88 -49.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.72 131.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 112' ' ' PHE . 2.3 tp -173.24 116.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -140.14 138.66 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.0 t-20 -150.73 124.38 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.81 161.73 33.12 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.698 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -146.49 166.63 25.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -131.71 147.22 52.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.868 ' CE2' HG22 ' A' ' 21' ' ' VAL . 20.3 m-85 -123.28 106.93 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.85 148.73 71.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.04 38.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -158.68 91.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -131.95 10.86 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -89.22 -19.88 24.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.51 168.0 10.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.77 147.89 24.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.499 ' HA ' HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -108.39 130.67 55.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 97' ' ' PHE . 60.7 t -121.05 131.48 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -124.85 124.15 41.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG22 ' A' ' 110' ' ' ILE . 1.6 t80 -123.82 120.42 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.1 m -106.85 126.5 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -113.32 118.2 57.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.616 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -137.19 119.49 15.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.821 ' HB3' HD12 ' A' ' 91' ' ' LEU . 1.4 m-85 -151.72 154.72 36.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.651 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . -114.11 120.87 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 8.4 m-85 -97.23 168.64 10.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -50.0 7.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.0 m -87.2 118.14 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.52 64.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.35 -54.08 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.91 -29.0 69.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.598 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 3.4 t0 -53.72 -52.38 60.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.61 -41.25 39.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.41 ' O ' ' HB3' ' A' ' 125' ' ' ALA . 0.0 OUTLIER -53.96 -46.56 71.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 7.7 mt -74.15 -44.27 54.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.527 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -60.28 -16.47 34.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 122' ' ' MET . . . -76.5 -53.61 7.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.793 HD21 HD23 ' A' ' 123' ' ' LEU . 7.6 p30 -67.24 -26.1 66.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -44.67 -41.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.06 -40.64 96.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.8 mmp_? -64.64 -50.46 67.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -58.94 -49.84 76.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.418 ' HB1' HG11 ' A' ' 6' ' ' VAL . . . -62.0 -29.17 70.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.72 -50.27 25.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.585 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.38 -36.94 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.9 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -63.0 -42.68 99.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.683 HD11 HG12 ' A' ' 6' ' ' VAL . 52.2 mt -61.94 -46.05 97.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.91 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 43.1 t -61.94 -51.71 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.342 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.632 ' CG ' HD11 ' A' ' 20' ' ' LEU . 15.4 t80 -57.86 -39.29 77.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.55 ' HG3' HD22 ' A' ' 10' ' ' LEU . 1.8 tt0 -65.04 -52.08 57.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.04 -41.01 77.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.65 ' NH2' HE22 ' A' ' 144' ' ' GLN . 0.0 OUTLIER -62.91 -38.67 91.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -62.77 -43.39 98.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.7 tt0 -72.23 -32.8 67.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.65 HE22 ' NH2' ' A' ' 141' ' ' ARG . 24.0 tt0 -67.57 -37.35 82.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.02 -50.66 21.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -67.42 -30.71 70.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.599 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.52 -57.25 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.34 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.503 ' HG2' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.61 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 30.0 m-70 -45.06 118.43 1.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.635 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -123.79 146.09 48.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.718 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -128.94 137.16 51.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.594 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' C ' ' CG2' ' A' ' 6' ' ' VAL . 11.8 t -104.1 147.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.421 HG12 HD11 ' A' ' 135' ' ' ILE . 2.4 t -149.18 111.22 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -118.09 131.73 56.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.713 ' HD3' HG23 ' A' ' 135' ' ' ILE . 1.0 OUTLIER -138.71 163.53 31.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.717 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.4 p -136.52 126.88 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 138' ' ' PHE . 40.0 mt -126.55 117.1 22.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.1 Cg_endo -75.03 70.78 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CD1' ' CD2' ' A' ' 146' ' ' HIS . 60.6 m-85 -152.22 -176.1 5.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.7 p -78.92 160.68 71.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.894 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.97 0.83 8.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.01 -49.09 78.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -53.66 -33.53 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.894 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -62.79 -39.42 94.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -46.81 -37.93 9.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.59 -26.34 45.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.783 HD13 ' CH2' ' A' ' 95' ' ' TRP . 1.5 mt -73.35 -46.03 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 44.0 t -59.71 -41.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.78 27.15 21.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' HA ' ' H ' ' A' ' 27' ' ' TYR . 10.3 t70 -68.73 -8.29 41.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.896 ' CG2' HG21 ' A' ' 39' ' ' THR . 27.0 m -87.22 5.02 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.646 ' O ' ' CZ ' ' A' ' 27' ' ' TYR . 4.7 t70 -148.39 -35.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' O ' ' CD1' ' A' ' 27' ' ' TYR . . . -81.49 -57.84 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.657 ' CD1' ' O ' ' A' ' 26' ' ' ALA . 0.5 OUTLIER 24.12 59.11 0.37 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 29' ' ' LYS . 18.2 Cg_endo -74.98 62.75 5.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 163.91 163.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -61.64 140.23 58.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.895 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 2.4 m -132.52 89.52 35.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -36.19 2.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.895 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.27 -19.48 14.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 108.005 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.515 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -132.26 179.98 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.556 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -132.57 -91.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.556 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.61 152.69 20.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.402 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.01 151.36 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 111.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.53 129.65 3.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.896 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -130.7 120.31 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.66 177.69 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.56 99.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.32 -140.57 4.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.04 157.76 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.01 124.24 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.01 133.26 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.35 -131.85 5.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.937 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.7 37.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.506 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.3 t -136.1 147.87 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.3 m -141.72 121.73 13.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.651 HG23 ' HG3' ' A' ' 71' ' ' ARG . 55.1 m -117.62 127.47 53.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.4 m -152.27 172.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.99 138.67 38.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -123.06 107.81 12.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 100.58 11.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.4 156.68 17.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.496 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.9 mt-30 -128.2 175.4 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.8 m -131.33 124.44 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.38 -66.25 0.67 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.15 40.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 9.3 t -107.81 5.98 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' SER . 88.0 t80 60.15 11.7 2.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 64' ' ' GLU . 1.8 tt -145.26 95.26 2.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.38 92.54 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.646 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.7 mt-10 -145.97 152.37 39.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -116.09 162.78 16.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.427 ' CG ' ' C ' ' A' ' 65' ' ' LYS . 45.3 m-85 -157.03 157.24 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.19 142.62 47.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.941 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -150.72 157.09 42.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.597 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -82.01 108.51 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.623 ' HA ' HG22 ' A' ' 81' ' ' VAL . 11.5 p -87.36 131.77 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.651 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -119.82 111.46 18.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HG2' HG12 ' A' ' 21' ' ' VAL . 5.5 mtp180 -104.72 149.81 25.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.506 ' CG ' HG22 ' A' ' 48' ' ' VAL . 34.3 t0 -147.1 122.26 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.937 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -92.77 -9.79 39.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -96.32 -23.56 16.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.06 -21.64 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.586 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 5.9 mtt180 60.72 37.13 19.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.04 161.67 33.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.984 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.665 HG13 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -130.68 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -142.54 142.35 32.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 70' ' ' VAL . 37.7 t -137.53 123.75 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 68' ' ' THR . 7.5 m -110.75 157.3 19.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.023 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -68.78 132.71 47.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.023 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -122.29 -56.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.551 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER -133.28 -1.2 3.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -52.12 -119.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -74.99 3.67 5.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.611 ' HA ' HD11 ' A' ' 83' ' ' LEU . 0.1 OUTLIER 34.09 41.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.49 -56.94 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.52 124.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.625 ' CD2' HG21 ' A' ' 68' ' ' THR . 0.5 OUTLIER -176.46 114.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.236 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -133.3 145.93 50.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -144.52 109.63 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.9 144.85 16.55 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.783 ' CH2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -139.5 128.03 23.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -137.12 141.49 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.804 ' CD1' HD13 ' A' ' 17' ' ' LEU . 17.1 p90 -140.16 143.61 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.1 mtm -148.58 168.68 10.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.797 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -159.08 89.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.07 -134.65 13.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -83.48 -23.53 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 0.75 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -113.24 165.63 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -104.37 147.9 27.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -108.81 132.4 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.559 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 59.1 t -119.71 140.79 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.7 124.96 39.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.65 113.67 18.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.02 143.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.854 HD13 ' CE2' ' A' ' 112' ' ' PHE . 1.5 pp -127.67 125.73 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -136.26 124.52 23.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.854 ' CE2' HD13 ' A' ' 110' ' ' ILE . 2.7 p90 -155.62 157.36 36.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' CB ' ' HG2' ' A' ' 1' ' ' MET . . . -111.92 121.58 45.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.105 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.0 m-85 -99.07 174.2 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -51.64 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.73 129.36 38.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.15 -35.71 81.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.66 -46.52 75.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.9 mt -69.04 -23.94 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.61 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -60.61 -51.89 67.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.03 -38.56 66.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -46.15 89.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.105 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 5.8 mt -75.29 -50.71 15.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.514 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -60.87 -14.02 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -78.37 -53.72 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.23 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.567 HD21 HD23 ' A' ' 123' ' ' LEU . 6.9 p30 -68.65 -27.76 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -41.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -62.89 -47.68 82.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' ASN . 2.5 mmt85 -58.95 -50.95 72.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.86 85.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.858 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -64.87 -32.32 73.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.92 -45.81 79.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.495 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 9.2 pttt -67.32 -39.39 85.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.858 HD23 ' HA ' ' A' ' 131' ' ' ALA . 0.2 OUTLIER -63.58 -41.8 98.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.713 HG23 ' HD3' ' A' ' 8' ' ' LYS . 67.5 mt -64.02 -40.12 87.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.04 -35.76 81.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.4 -51.59 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 10' ' ' LEU . 19.5 t80 -58.59 -40.78 84.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -51.97 64.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.44 -37.38 65.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -64.26 -45.3 88.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.34 83.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.45 -32.18 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -66.74 -38.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 -55.24 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.425 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 4.6 m-70 -63.58 -29.29 70.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.75 -57.54 19.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HG2' ' CD ' ' A' ' 90' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.483 0.182 . . . . 0.0 111.055 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.459 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 33.8 m-70 -144.17 119.07 9.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 19.7 ttt180 -117.95 124.98 49.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.637 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -120.74 128.39 52.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.95 136.28 43.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 108' ' ' PHE . 2.0 t -135.68 128.53 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -124.39 128.14 48.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.486 ' CD ' HG12 ' A' ' 135' ' ' ILE . 8.8 pttt -132.74 157.89 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.524 ' O ' HD23 ' A' ' 10' ' ' LEU . 14.1 p -137.66 121.71 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 9' ' ' VAL . 15.9 mt -121.78 117.03 30.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.02 65.27 6.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -135.35 168.86 18.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -58.35 161.43 7.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.437 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.99 -5.14 16.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -71.8 -43.0 66.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -51.47 -32.11 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD11 HG21 ' A' ' 104' ' ' THR . 11.3 mt -64.67 -41.81 95.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -46.04 -33.47 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.0 -32.13 45.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.581 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.3 mt -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.109 HG22 ' CE2' ' A' ' 97' ' ' PHE . 93.9 t -61.36 -31.01 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -106.56 27.02 18.03 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.425 1.078 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -65.74 -10.85 40.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.683 ' HB ' HG21 ' A' ' 39' ' ' THR . 35.8 m -82.18 -13.56 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.37 20.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -117.69 -109.16 0.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.654 ' O ' ' CD2' ' A' ' 27' ' ' TYR . 41.7 p90 36.77 93.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 91.92 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.798 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt 62.84 170.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.786 ' O ' HG13 ' A' ' 31' ' ' VAL . 3.1 t80 59.37 116.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 111.033 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.786 HG13 ' O ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -174.45 70.68 0.31 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' C ' ' N ' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.966 ' CE2' HD22 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -39.41 -30.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 107.966 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.626 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -123.6 -166.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.626 ' N ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -139.57 -90.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.565 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -100.2 150.62 18.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.541 1.15 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -156.46 150.35 24.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.67 135.14 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.683 HG21 ' HB ' ' A' ' 24' ' ' VAL . 30.7 p -134.81 119.33 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -179.7 -178.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 65.0 90.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.18 -143.27 5.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -130.8 156.73 44.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.9 134.68 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.435 ' O ' ' O ' ' A' ' 48' ' ' VAL . 14.0 t0 -128.14 156.01 43.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -40.58 124.01 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.764 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . 39.43 34.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 46' ' ' GLY . 55.5 t -147.46 158.17 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -149.79 134.23 17.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.685 HG23 ' HG3' ' A' ' 71' ' ' ARG . 66.3 m -135.02 119.53 18.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.0 m -152.74 172.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.33 138.53 39.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.607 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -117.76 111.66 19.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.14 103.49 13.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.37 150.46 28.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.0 mt-30 -124.66 174.36 7.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.479 ' C ' HG21 ' A' ' 35' ' ' THR . 1.5 m -133.81 127.0 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.69 -57.68 0.49 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -87.51 33.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 14.9 m -108.61 6.02 25.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 52.6 t80 59.18 13.32 2.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.48 101.8 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.27 91.5 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 57' ' ' VAL . 7.5 mt-10 -145.6 137.58 25.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.19 150.74 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -142.18 144.73 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' THR . . . -122.14 142.18 50.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.924 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -151.86 162.31 41.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.86 114.6 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 51' ' ' VAL . 11.3 p -96.7 140.57 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.685 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -136.51 122.81 20.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.652 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -119.64 153.74 35.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 48' ' ' VAL . 46.4 t0 -145.2 126.09 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.764 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -91.21 -11.82 37.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.72 -23.6 19.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.73 -24.96 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 39.34 10.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.6 160.08 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.798 ' CG1' HG13 ' A' ' 21' ' ' VAL . 9.7 mm -131.46 138.99 51.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -141.29 139.71 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 70' ' ' VAL . 72.6 t -136.12 133.27 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.8 m -123.03 156.92 33.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.924 ' HA ' HG22 ' A' ' 68' ' ' THR . 5.7 tp -68.04 136.19 53.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -124.31 -56.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.1 OUTLIER -129.87 -3.6 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 111.016 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -58.72 -145.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 89' ' ' LYS . 18.4 Cg_endo -74.97 106.77 2.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.424 ' HA ' HD21 ' A' ' 83' ' ' LEU . 35.6 m-85 -66.07 67.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -147.6 -47.51 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' CD ' ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER 168.49 124.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.725 HD21 HG21 ' A' ' 68' ' ' THR . 0.2 OUTLIER -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 91' ' ' LEU . 5.4 m-80 -161.49 147.09 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -143.64 153.7 42.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 109' ' ' VAL . . . -159.42 142.7 8.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.52 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 30.1 m95 -131.29 108.15 9.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . 0.9 OUTLIER -99.95 146.44 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 1.109 ' CE2' HG22 ' A' ' 21' ' ' VAL . 15.4 m-85 -142.8 103.33 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.4 141.22 40.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.01 151.28 39.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -152.94 79.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.64 -127.27 9.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.87 -19.18 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -115.36 167.63 10.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.812 HG21 HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -116.54 147.57 41.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.468 ' CD ' ' HG2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -112.43 140.35 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.407 HG22 ' HD1' ' A' ' 97' ' ' PHE . 70.2 t -118.39 131.09 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG2' ' CD ' ' A' ' 105' ' ' ARG . 3.1 mt-10 -104.96 119.41 38.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -109.11 106.95 17.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 94' ' ' GLY . 16.9 m -101.87 116.93 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.682 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.5 OUTLIER -117.05 115.77 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.485 ' C ' ' CD1' ' A' ' 112' ' ' PHE . 14.1 mt-10 -136.05 107.67 6.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -143.49 156.61 44.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -119.89 123.76 44.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.122 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 5.3 m-85 -94.5 173.91 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -53.71 5.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -85.81 118.06 25.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.54 -30.91 55.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.03 -52.03 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' A' ' 123' ' ' LEU . 92.6 mt -64.99 -25.0 67.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.14 -51.03 71.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.655 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.63 -38.02 55.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -48.37 81.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.122 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.8 mt -75.23 -46.77 31.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -63.61 -12.98 37.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -83.12 -54.02 5.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 14.5 p30 -72.04 -14.97 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -47.56 -45.74 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 3.2 t0 -60.16 -42.38 94.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -60.77 -50.85 71.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.06 70.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.21 -29.23 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.24 -43.85 45.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -71.01 -33.74 70.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.966 HD22 ' CE2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -70.68 -39.46 73.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.486 HG12 ' CD ' ' A' ' 8' ' ' LYS . 54.8 mt -67.52 -37.23 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.66 67.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.575 ' SG ' ' CD1' ' A' ' 30' ' ' PHE . 43.6 t -64.78 -51.72 60.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 86.2 t80 -62.8 -42.74 99.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -51.71 68.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.73 88.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.13 -35.12 79.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.88 91.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.5 tt0 -72.19 -32.6 66.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -67.55 -38.06 83.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 141' ' ' ARG . 1.5 tt -74.36 -55.17 6.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -65.03 -24.44 67.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -91.62 33.92 4.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 113' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.513 0.197 . . . . 0.0 111.024 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.466 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -92.01 157.96 16.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -125.14 127.04 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.67 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.5 OUTLIER -92.46 127.88 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.595 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.3 138.18 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.51 116.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 ' CG2' ' HD3' ' A' ' 105' ' ' ARG . 1.8 m -110.94 111.58 22.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HD3' HG23 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -117.35 159.08 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.95 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.8 p -133.11 129.13 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.95 HD23 ' O ' ' A' ' 9' ' ' VAL . 14.9 mt -132.05 121.35 17.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.04 60.22 5.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -131.97 178.31 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.2 p -77.09 160.19 76.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.98 -1.28 11.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.13 -43.13 71.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.68 -24.1 13.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.896 HD22 ' CD1' ' A' ' 97' ' ' PHE . 5.1 mt -71.35 -40.37 70.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.15 -36.7 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.73 -30.17 45.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.806 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 2.6 mt -72.69 -37.51 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG13 HD11 ' A' ' 79' ' ' ILE . 97.8 t -61.5 -27.19 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -113.5 14.83 22.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 21.1 t0 -52.67 -31.05 35.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.902 ' CG2' HG21 ' A' ' 39' ' ' THR . 28.1 m -64.56 -11.83 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' CG ' ' OG1' ' A' ' 39' ' ' THR . 0.4 OUTLIER -145.72 18.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -124.16 -135.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.611 ' CD1' ' OD2' ' A' ' 23' ' ' ASP . 4.8 m-85 51.45 171.49 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.51 ' O ' ' CG ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo -75.04 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' CG ' ' O ' ' A' ' 28' ' ' PRO . 0.4 OUTLIER 162.95 -30.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.168 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 13.8 t80 -39.42 -78.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.826 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 3.4 m 27.33 83.47 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.2 Cg_endo -75.01 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.826 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.96 -20.91 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.611 HG22 ' HB ' ' A' ' 31' ' ' VAL . 1.8 tt -129.39 -178.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -127.65 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.439 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.597 ' H ' HG23 ' A' ' 35' ' ' THR . . . -100.37 154.66 19.43 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -160.26 151.34 19.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 0.763 . . . . 0.0 110.954 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.87 139.68 11.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.902 HG21 ' CG2' ' A' ' 24' ' ' VAL . 51.0 p -133.86 119.65 19.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.434 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.1 OUTLIER 179.89 -175.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 t-20 61.5 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 173.52 -150.57 12.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.84 160.28 31.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.05 132.95 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' VAL . 5.4 t70 -129.03 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' ' 48' ' ' VAL . . . -39.48 125.22 2.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' GLY . . . 38.84 35.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 46' ' ' GLY . 52.6 t -148.19 155.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.454 ' HB3' ' CG ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -151.36 132.5 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.862 HG23 ' HG3' ' A' ' 71' ' ' ARG . 85.3 m -133.21 119.77 20.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.457 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 70' ' ' VAL . 4.5 m -152.69 172.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -81.62 149.39 28.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -128.21 107.91 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -95.83 101.41 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.88 151.4 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.531 ' C ' ' CG2' ' A' ' 35' ' ' THR . 20.5 mt-30 -125.73 168.77 13.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -127.43 126.21 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -104.66 -81.85 1.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -81.73 43.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.734 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -108.7 7.17 26.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.033 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 12.0 t80 62.59 9.01 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 62' ' ' LEU . 3.2 tt -142.59 94.62 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.94 93.29 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' H ' HG23 ' A' ' 57' ' ' VAL . 23.0 mt-10 -145.18 153.82 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 1.0 OUTLIER -106.99 147.52 29.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.4 m-85 -143.87 155.18 44.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.71 142.25 33.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.958 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -149.88 156.5 41.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HD3' HG22 ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.58 114.98 20.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.688 ' HA ' HG22 ' A' ' 81' ' ' VAL . 13.2 p -98.27 140.36 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.862 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -131.3 123.57 28.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.884 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.3 ptt85 -119.91 148.76 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.439 ' CG ' HG22 ' A' ' 48' ' ' VAL . 45.7 t0 -142.96 119.83 11.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 pttp -87.46 -6.21 58.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -23.32 16.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.58 -22.64 12.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 63.0 37.54 11.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.79 161.76 32.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.884 HD13 ' HA ' ' A' ' 72' ' ' ARG . 11.6 mm -134.74 137.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -141.84 139.4 32.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.688 HG22 ' HA ' ' A' ' 70' ' ' VAL . 57.8 t -135.68 145.27 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -133.46 162.95 30.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.958 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -69.04 134.31 49.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 85' ' ' TYR . 4.4 tt -123.45 -56.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -127.85 -4.57 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -59.74 -142.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' LYS . 18.5 Cg_endo -75.01 110.65 3.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.08 73.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -161.91 -48.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 171.18 128.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 68' ' ' THR . 1.3 tt -175.52 112.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -144.1 163.8 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.536 ' ND2' ' CZ2' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -152.67 151.33 30.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.26 143.6 10.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.536 ' CZ2' ' ND2' ' A' ' 93' ' ' ASN . 36.6 m95 -126.59 107.31 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.78 146.42 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.896 ' CD1' HD22 ' A' ' 17' ' ' LEU . 1.2 m-85 -139.12 118.14 12.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -135.67 136.96 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 98' ' ' MET . 18.1 Cg_endo -75.05 151.75 39.7 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.5 65.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.0 -134.23 11.68 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.49 -20.11 44.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.346 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -112.48 164.95 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.44 147.7 43.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.427 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.48 ' HD3' ' CG2' ' A' ' 7' ' ' THR . 38.0 ttm-85 -112.02 136.91 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.7 t -116.51 127.69 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -103.74 116.96 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' ' 134' ' ' LEU . 3.3 m-30 -106.16 107.77 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' VAL . 20.8 m -107.8 115.76 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.741 HD12 ' C ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -126.3 126.61 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 110' ' ' ILE . 6.7 pt-20 -136.14 132.64 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.684 ' CE2' HD11 ' A' ' 110' ' ' ILE . 4.7 p90 -149.06 166.1 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -126.34 119.79 28.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.044 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 11.0 m-85 -98.02 172.63 7.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -52.22 5.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.3 m -88.19 116.55 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.49 -29.37 49.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.81 -52.74 26.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.6 mt -63.86 -26.41 68.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.461 ' OD2' ' NE2' ' A' ' 2' ' ' HIS . 0.7 OUTLIER -56.93 -50.79 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -77.47 -36.88 52.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -47.91 83.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.044 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 6.7 mt -75.16 -42.29 56.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.524 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -64.68 -16.47 62.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.1 -53.43 8.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.646 HD21 HD23 ' A' ' 123' ' ' LEU . 6.2 p30 -68.76 -29.12 67.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.67 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -41.56 -42.37 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -63.27 -46.38 87.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 126' ' ' ASN . 17.4 mmt85 -59.03 -48.69 80.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -57.75 -46.73 84.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.48 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -72.11 -45.94 38.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.63 ' HB2' ' HZ3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -68.81 -35.33 76.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.752 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.636 HD13 ' CH2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.91 -41.83 90.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.668 HG23 ' HD3' ' A' ' 8' ' ' LYS . 55.5 mt -62.77 -45.31 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.05 77.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 15.1 t -61.37 -50.56 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.352 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.806 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 50.8 t80 -61.22 -38.55 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -51.95 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.03 -38.79 73.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -36.67 84.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.19 -43.55 94.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.72 -32.69 65.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -37.92 79.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.41 -52.16 24.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -67.42 -31.55 71.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.6 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -51.27 -57.24 11.95 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 109.279 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.497 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.549 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 44.6 m-70 -49.08 118.87 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -113.42 120.39 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.66 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -110.74 131.88 54.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.601 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -103.82 136.38 37.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.21 109.29 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -113.14 126.38 55.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.7 162.84 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.781 ' O ' HD23 ' A' ' 10' ' ' LEU . 22.1 t -136.31 125.84 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 138' ' ' PHE . 12.1 mt -129.32 121.93 20.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.96 55.62 3.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 142' ' ' ALA . 20.6 m-85 -119.75 -178.84 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -84.5 162.02 52.16 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.978 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.9 -46.58 43.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.15 -29.14 29.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.978 HD12 ' HA ' ' A' ' 14' ' ' PRO . 5.9 mt -65.88 -40.62 91.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.32 -37.98 8.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.8 mt-10 -75.31 -28.45 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD13 ' CH2' ' A' ' 95' ' ' TRP . 2.0 mt -77.64 -42.93 33.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.964 HG13 HD11 ' A' ' 79' ' ' ILE . 69.5 t -58.14 -33.31 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -113.56 8.91 24.12 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' OD1' ' CG ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -43.45 -40.16 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.719 ' CG2' HG21 ' A' ' 39' ' ' THR . 16.0 m -43.44 -25.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -127.56 -45.64 1.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -44.33 -68.81 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CG ' ' OD1' ' A' ' 23' ' ' ASP . 3.1 m-85 -37.5 121.34 0.92 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -79.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.801 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -111.95 -152.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' C ' HG23 ' A' ' 31' ' ' VAL . 1.2 t80 63.5 -133.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.636 HG23 ' C ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER 57.17 70.18 1.44 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.473 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.03 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.522 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 0.7 OUTLIER -55.54 -18.28 7.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' THR . 0.1 OUTLIER -125.79 178.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -130.27 -91.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.542 ' H ' HG23 ' A' ' 35' ' ' THR . . . -93.85 153.07 21.05 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 1.1 pmm? -159.92 151.12 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.0 135.2 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.719 HG21 ' CG2' ' A' ' 24' ' ' VAL . 41.0 p -131.43 117.99 19.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -179.36 178.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.46 100.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.07 -144.03 7.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 159.06 43.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.5 p -131.14 123.35 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.63 133.2 36.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.32 -133.12 8.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -94.08 33.54 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 HG22 ' OD1' ' A' ' 73' ' ' ASP . 29.2 t -131.9 147.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.572 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.39 127.63 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.803 HG23 ' HG3' ' A' ' 71' ' ' ARG . 63.8 m -127.46 126.48 42.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.646 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.8 m -151.75 171.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.532 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -75.5 148.09 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' THR . . . -131.16 106.83 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.98 100.44 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -108.76 157.17 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.491 ' C ' ' CG2' ' A' ' 35' ' ' THR . 9.2 mt-30 -127.95 179.83 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.257 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' C ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -135.12 122.9 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -114.74 -52.32 0.43 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -88.7 26.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.747 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 1.4 m -107.08 6.84 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 25.2 t80 59.26 14.47 3.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 111.064 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -138.45 106.69 5.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 91.35 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 12.6 mt-10 -145.79 158.5 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.9 150.91 49.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 6.9 m-85 -153.48 157.76 40.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -128.84 143.46 50.91 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.498 HG21 HD23 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -144.44 153.61 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.382 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -80.07 110.47 15.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.936 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -88.13 135.17 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.803 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtt180 -127.11 110.22 12.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HD13 ' A' ' 79' ' ' ILE . 1.2 ptt180 -106.84 151.84 24.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.496 ' OD1' HG22 ' A' ' 48' ' ' VAL . 6.6 t0 -145.43 118.84 9.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 3.9 ptpt -91.33 -9.01 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -97.63 -24.16 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.16 -24.75 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.493 ' O ' ' CZ ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER 64.13 37.14 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.69 164.24 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.964 HD11 HG13 ' A' ' 21' ' ' VAL . 14.5 mm -130.72 139.98 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -146.37 139.43 25.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.936 HG22 ' HA ' ' A' ' 70' ' ' VAL . 24.5 t -138.08 138.86 43.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.8 m -134.92 172.72 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.581 HD12 ' CD1' ' A' ' 88' ' ' PHE . 1.1 tt -58.27 137.96 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.914 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.4 tt -124.68 -59.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.914 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -135.2 -32.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.63 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -28.77 143.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.14 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.64 ' CE2' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -64.6 163.08 14.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -82.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.65 123.04 33.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.64 HD22 ' CE2' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -152.34 119.83 6.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -144.49 129.24 18.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -135.39 108.95 7.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.25 149.48 17.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.985 ' CH2' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -142.72 129.4 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.54 154.57 51.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.714 ' CD2' HD13 ' A' ' 17' ' ' LEU . 7.5 p90 -148.52 141.6 24.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.42 166.04 16.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.79 32.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -158.29 89.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.26 -133.51 12.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.51 -21.06 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -114.82 167.87 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -102.62 147.81 26.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.462 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 6.4 tmm_? -111.48 127.64 55.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.985 HG11 ' CH2' ' A' ' 95' ' ' TRP . 58.1 t -121.02 141.63 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 6.8 mt-10 -127.24 123.37 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 109' ' ' VAL . 2.7 m -97.85 120.72 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.741 ' O ' HD12 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -109.32 116.87 53.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.583 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.16 114.87 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.598 ' CZ ' ' HB ' ' A' ' 110' ' ' ILE . 1.0 OUTLIER -149.45 154.35 38.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.507 ' CB ' ' SD ' ' A' ' 1' ' ' MET . . . -102.98 136.33 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.107 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.4 OUTLIER -114.05 166.27 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -54.33 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -86.59 128.78 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.43 -38.94 74.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -64.73 -46.89 80.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.09 -25.26 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.549 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.2 t0 -56.95 -51.18 70.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -72.46 -39.58 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -46.35 90.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.107 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -74.62 -54.03 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -57.0 -17.34 9.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.25 -52.95 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.557 HD21 HD23 ' A' ' 123' ' ' LEU . 3.1 p30 -68.1 -22.48 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.1 -39.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -61.62 -47.6 84.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 126' ' ' ASN . 16.4 mmt180 -58.97 -49.71 76.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.58 -43.08 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.636 ' O ' HD12 ' A' ' 135' ' ' ILE . . . -64.27 -30.12 71.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -67.12 -43.87 88.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 3.2 ptpt -70.86 -46.13 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 0.807 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.82 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -58.2 -43.51 87.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 131' ' ' ALA . 27.8 mt -60.49 -45.1 97.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.23 70.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.482 ' SG ' ' CD2' ' A' ' 30' ' ' PHE . 49.3 t -61.36 -51.47 68.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 108.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.784 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.9 t80 -63.4 -41.46 98.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.37 -51.28 69.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.51 -38.28 74.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -35.93 81.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.409 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . . . -65.3 -43.27 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.93 -32.5 63.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -69.31 -33.72 73.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.89 -57.39 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -64.8 -33.88 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.63 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 37.86 46.93 1.77 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 109.325 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.718 ' HG2' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.54 0.21 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.605 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 8.8 m-70 -41.82 118.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 9.1 tmm_? -129.38 144.09 51.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.692 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.1 OUTLIER -132.17 128.22 37.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.602 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 p -97.99 148.13 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.98 103.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -108.65 133.5 52.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.659 ' HE2' HD11 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -139.59 162.15 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.611 ' C ' HD23 ' A' ' 10' ' ' LEU . 47.7 t -137.08 114.49 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.157 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.659 HD11 ' HE2' ' A' ' 8' ' ' LYS . 10.5 mt -116.18 119.75 36.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -74.97 58.22 4.8 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 146' ' ' HIS . 36.7 m-85 -139.17 -174.01 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -85.24 161.22 52.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.0 3.13 5.89 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.94 -47.77 76.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -54.36 -26.87 32.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' PRO . 9.1 mt -68.28 -40.02 81.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.71 -37.0 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.19 -28.17 42.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.705 ' CD1' ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -76.17 -34.14 59.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 79' ' ' ILE . 87.5 t -60.34 -38.13 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -102.08 22.63 37.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' O ' ' CD1' ' A' ' 27' ' ' TYR . 8.6 t70 -65.1 -9.95 26.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.768 ' HB ' HG21 ' A' ' 39' ' ' THR . 21.8 m -78.74 -17.8 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.19 18.68 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.81 -116.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 37.8 p90 36.52 95.93 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -12.42 21.53 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.423 1.749 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 30' ' ' PHE . 1.9 tttm 169.88 90.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.848 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.0 OUTLIER 162.14 92.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.059 HG12 ' CH2' ' A' ' 33' ' ' TRP . 0.0 OUTLIER 173.15 64.26 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.2 Cg_endo -75.03 -39.92 1.05 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.059 ' CH2' HG12 ' A' ' 31' ' ' VAL . 3.5 p90 -51.25 -23.1 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.588 HG22 ' HB ' ' A' ' 31' ' ' VAL . 2.1 tt -119.62 171.66 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.575 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -121.08 -94.0 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.575 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -87.96 150.31 22.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 36.2 tpp -159.21 149.06 18.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.75 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -168.0 135.71 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.768 HG21 ' HB ' ' A' ' 24' ' ' VAL . 38.6 p -135.59 122.26 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -179.6 177.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 108.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.6 92.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.08 -140.19 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -138.16 158.14 44.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.404 HG23 ' OG ' ' A' ' 49' ' ' SER . 8.0 p -129.88 124.3 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -135.54 133.03 37.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.44 -132.14 5.89 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.983 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -95.5 35.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.441 HG22 ' CG ' ' A' ' 73' ' ' ASP . 29.1 t -134.98 148.32 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.404 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.47 135.25 31.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.411 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 6.5 m -132.33 124.77 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.722 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -151.73 172.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' THR . 1.3 m-20 -71.93 146.04 48.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.711 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -128.41 108.63 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.68 100.45 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' A' ' 34' ' ' ILE . . . -108.41 155.34 20.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.505 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.7 mt-30 -128.25 175.47 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 60' ' ' SER . 4.0 m -136.18 126.28 40.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.01 -81.09 1.57 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.566 1.166 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.74 48.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 36.4 m -109.91 5.14 22.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' A' ' 60' ' ' SER . 53.7 t80 63.74 8.12 3.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.25 94.26 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 93.21 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -145.07 146.52 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -106.58 150.84 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -142.92 146.05 33.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.042 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -121.34 140.96 51.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.898 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -151.15 152.45 33.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.409 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.682 ' HG3' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -75.82 109.2 9.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 81' ' ' VAL . 3.9 p -85.21 136.55 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -129.75 121.14 26.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -120.02 148.21 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 40.8 t0 -142.13 116.93 9.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.983 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -83.12 -8.58 59.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.1 OUTLIER -96.62 -23.41 16.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -102.31 -22.49 14.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.578 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER 59.68 35.77 22.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.403 ' CB ' ' HD3' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -132.44 167.39 20.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.964 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 21' ' ' VAL . 1.3 tp -125.3 146.46 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -152.87 138.26 17.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG22 ' HA ' ' A' ' 70' ' ' VAL . 70.1 t -138.76 146.82 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 18.8 m -133.26 166.34 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.898 ' HA ' HG22 ' A' ' 68' ' ' THR . 13.9 mt -65.09 134.83 54.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 85' ' ' TYR . 3.5 tt -123.05 -56.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.715 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -132.01 -4.73 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.01 -156.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 96.76 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -54.52 102.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -55.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.02 122.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.553 ' C ' HD23 ' A' ' 91' ' ' LEU . 4.9 tt -176.71 128.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -147.31 154.44 40.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 81' ' ' VAL . 15.7 m120 -144.19 119.02 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.19 156.4 26.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.796 ' CZ3' HG11 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -150.49 149.17 29.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.403 ' HD3' ' CB ' ' A' ' 78' ' ' SER . 1.7 mtt180 -138.2 156.0 48.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 17' ' ' LEU . 5.1 m-30 -90.06 155.48 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -154.21 94.97 2.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.5 Cg_endo -74.99 150.88 38.84 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.045 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -153.47 70.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.42 -137.78 13.49 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.29 -28.51 61.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -98.25 165.02 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -126.11 147.12 49.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' MET . 0.7 OUTLIER -116.01 130.04 56.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.796 HG11 ' CZ3' ' A' ' 95' ' ' TRP . 57.6 t -109.02 141.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.9 124.21 42.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -124.05 111.35 15.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.63 125.59 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 110' ' ' ILE . 0.9 OUTLIER -114.72 130.86 68.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.449 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 42.6 mt-10 -134.66 143.17 47.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.474 ' HB2' HD12 ' A' ' 91' ' ' LEU . 7.7 p90 -169.05 160.15 9.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.718 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -119.49 121.65 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.948 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.3 OUTLIER -101.09 166.83 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.67 -54.92 3.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -76.31 128.21 34.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.35 79.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.7 -51.47 62.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 123' ' ' LEU . 88.9 mt -66.15 -23.59 66.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.605 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -58.82 -49.76 76.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.9 -37.05 41.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.948 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.1 mt -75.09 -46.36 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 4' ' ' HIS . . . -64.52 -12.01 40.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -84.14 -53.91 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 2.3 p30 -70.86 -17.12 62.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.692 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -52.44 -44.3 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 9.3 t0 -63.94 -34.16 77.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -68.54 -46.71 68.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -60.89 -51.24 70.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.487 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -61.77 -37.95 86.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.33 97.7 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.635 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -64.67 -37.48 87.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.635 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -62.45 -37.36 85.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 131' ' ' ALA . 10.4 mm -69.4 -39.84 79.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.97 -34.27 76.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 2.7 t -67.43 -51.42 51.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.705 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 1.6 t80 -57.19 -43.58 82.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.89 -51.61 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.72 -40.1 75.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -37.09 85.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.09 -41.58 99.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.5 -32.46 62.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -69.68 -37.27 76.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.4 tt -73.34 -54.75 7.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 12' ' ' TYR . 4.7 m-70 -63.67 -29.31 70.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.628 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.41 -58.23 14.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.518 0.199 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.573 ' HE2' ' HE1' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -146.01 158.94 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' HB2' ' CG ' ' A' ' 111' ' ' GLU . 8.0 ttp180 -129.59 117.5 20.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.649 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -94.02 131.84 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.624 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 t -108.25 145.91 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.91 118.14 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -124.17 120.07 31.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 165.13 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 p -133.71 121.04 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 9' ' ' VAL . 20.2 mt -120.5 116.69 31.9 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 61.63 5.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.803 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.71 175.33 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 p -62.51 158.85 46.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' O ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.02 -17.75 19.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -54.7 -39.33 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -50.46 -24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD22 ' HB3' ' A' ' 97' ' ' PHE . 10.2 mt -64.08 -48.14 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -39.44 8.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.65 -28.99 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mt -73.27 -41.47 63.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.832 HG13 HG13 ' A' ' 79' ' ' ILE . 48.2 t -60.57 -40.06 83.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -102.62 22.02 38.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.142 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.34 -13.69 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 39' ' ' THR . 10.7 m -82.84 -17.86 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 5.5 t70 -126.34 0.71 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.734 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -116.52 -87.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.734 ' O ' ' O ' ' A' ' 26' ' ' ALA . 35.0 p90 44.87 159.26 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -161.99 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -100.46 10.16 41.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 20.2 t80 -138.48 106.32 5.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.878 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 5.1 m -142.52 84.82 10.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.04 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.878 ' CZ3' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -52.85 -21.28 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 107.959 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.555 HG23 ' N ' ' A' ' 35' ' ' THR . 1.5 tt -129.81 -175.33 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.61 HG21 ' C ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -135.47 -90.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.586 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -97.15 149.74 19.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.413 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 41.3 tpp -150.76 150.13 30.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -162.38 136.65 6.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.478 HG21 ' CG2' ' A' ' 24' ' ' VAL . 30.5 p -135.72 115.71 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.38 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.68 -177.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.438 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.6 m-20 68.24 86.61 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -139.81 3.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 158.24 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG23 ' OG ' ' A' ' 49' ' ' SER . 10.9 p -129.27 121.58 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -131.04 131.11 44.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.39 -131.09 9.07 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.968 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -94.94 36.25 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 73' ' ' ASP . 23.7 t -136.22 148.59 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.544 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -145.41 128.47 16.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.418 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 24.1 m -126.15 125.24 42.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.54 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.0 m -152.06 172.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.88 137.22 33.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -115.27 108.56 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -95.17 101.85 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.65 149.12 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CB ' HG23 ' A' ' 35' ' ' THR . 4.9 mt-30 -121.95 179.07 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.61 ' C ' HG21 ' A' ' 35' ' ' THR . 3.6 m -137.69 127.55 36.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.75 -73.22 0.87 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.558 1.161 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.23 41.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 12.5 m -108.62 6.5 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 37.1 t80 60.93 10.34 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -142.81 94.9 2.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 93.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.31 161.09 40.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 66' ' ' PHE . 9.6 pttp -124.98 148.52 48.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -145.52 164.47 31.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.57 142.97 33.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.863 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -147.31 152.64 38.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.372 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.28 108.18 7.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 7.4 p -92.77 129.37 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -116.14 126.22 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.262 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.509 ' CB ' HD11 ' A' ' 79' ' ' ILE . 2.3 ptm180 -123.17 149.85 44.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.469 ' CG ' HG22 ' A' ' 48' ' ' VAL . 44.6 t0 -146.85 121.01 9.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.968 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -6.88 58.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.26 -23.69 17.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.91 -23.72 11.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 64.35 39.84 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.98 158.45 42.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.832 HG13 HG13 ' A' ' 21' ' ' VAL . 1.1 mm -134.87 141.78 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -141.57 145.32 34.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 68' ' ' THR . 21.4 t -135.33 134.19 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.4 m -129.85 164.81 23.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.886 HD11 ' H ' ' A' ' 91' ' ' LEU . 2.3 mp -60.44 143.05 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -122.36 -59.85 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.587 ' CB ' HD13 ' A' ' 84' ' ' LEU . 83.7 t80 -133.89 -32.27 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -27.18 117.99 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HD2' ' CE1' ' A' ' 88' ' ' PHE . 18.4 Cg_endo -74.99 65.34 6.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 86' ' ' GLY . 0.6 OUTLIER -129.69 -173.41 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.01 -73.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -135.74 143.23 45.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.886 ' H ' HD11 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -165.17 112.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.7 150.12 51.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -149.46 158.31 44.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.54 147.31 10.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.701 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 79.9 m95 -118.37 110.1 17.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -104.35 146.24 29.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.248 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CE2' HG22 ' A' ' 21' ' ' VAL . 41.4 m-85 -135.5 124.88 24.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.21 116.42 9.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.01 153.44 41.74 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -153.22 70.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 99.9 -143.61 16.51 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.433 1.083 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.39 -28.73 67.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -99.74 167.66 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -124.4 147.43 48.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -110.12 129.68 55.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.664 HG13 ' CD1' ' A' ' 97' ' ' PHE . 59.3 t -119.61 137.77 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -126.46 123.57 38.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.701 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 7.0 t80 -111.56 118.42 35.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 23.3 m -94.86 125.18 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -118.86 120.94 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.484 ' CG ' ' HB2' ' A' ' 3' ' ' ARG . 0.9 OUTLIER -136.63 122.33 19.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HE1' ' HE2' ' A' ' 2' ' ' HIS . 4.7 p90 -151.85 163.3 39.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -126.76 121.11 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.046 ' CE1' HD13 ' A' ' 123' ' ' LEU . 10.6 m-85 -96.47 172.7 7.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -47.28 8.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m -92.16 118.31 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.22 -28.3 62.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.03 -51.52 31.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' A' ' 123' ' ' LEU . 98.5 mt -65.82 -25.01 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.1 t0 -58.56 -51.66 68.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.697 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.5 -36.63 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -48.64 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.046 HD13 ' CE1' ' A' ' 114' ' ' PHE . 3.3 mt -74.8 -44.23 50.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -67.24 -12.36 59.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.51 -53.73 5.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 7.9 p30 -71.82 -20.76 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.535 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.1 -43.93 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.408 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 2.6 t0 -62.21 -43.55 98.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 126' ' ' ASN . 19.1 mmt180 -61.63 -52.54 63.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.95 72.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.592 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -66.94 -33.07 74.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.81 -44.77 88.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.496 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 1.1 pttt -68.89 -39.3 79.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.794 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -63.45 -41.62 98.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.97 -38.93 82.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.74 76.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 19.1 t -64.89 -51.23 63.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.563 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 87.9 t80 -63.02 -42.1 99.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -61.82 -48.41 80.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.55 -42.23 82.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -35.22 80.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.73 94.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -73.82 -32.94 63.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -68.79 -34.36 75.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.56 -55.88 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.61 -28.88 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -56.0 -57.04 20.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.261 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.499 0.19 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.532 ' CE1' HD11 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -52.09 131.41 31.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.613 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ttp85 -128.42 118.01 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.597 ' CD2' HG12 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -104.32 128.31 52.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.56 143.85 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.14 139.39 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.69 132.13 51.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.785 ' HD3' HG23 ' A' ' 135' ' ' ILE . 22.7 ttpt -136.68 152.09 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.607 ' O ' HD23 ' A' ' 10' ' ' LEU . 8.1 p -138.49 122.87 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 9' ' ' VAL . 37.3 mt -122.67 119.65 28.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.01 59.91 5.32 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.2 173.88 11.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.5 p -63.81 160.52 44.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.766 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.04 -1.48 11.29 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.18 -45.12 77.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -52.5 -29.3 24.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.769 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.8 mt -66.72 -40.9 88.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.64 -36.32 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.5 -30.54 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.609 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.8 mt -72.39 -39.58 67.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.734 HG22 ' CE2' ' A' ' 97' ' ' PHE . 57.5 t -60.28 -30.42 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' ALA . . . -107.33 24.99 23.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.49 -10.27 24.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' ' 39' ' ' THR . 23.2 m -78.21 -16.43 13.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.04 21.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' C ' ' CD1' ' A' ' 27' ' ' TYR . . . -115.55 -111.54 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 26' ' ' ALA . 34.7 p90 35.17 86.15 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -7.96 19.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' NZ ' ' OE1' ' A' ' 144' ' ' GLN . 0.6 OUTLIER -102.82 167.05 10.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -58.17 153.36 15.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.824 HG12 ' CZ3' ' A' ' 33' ' ' TRP . 6.6 m -135.97 86.25 26.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.3 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.458 1.767 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.972 ' CZ2' HD22 ' A' ' 134' ' ' LEU . 0.1 OUTLIER -54.05 -20.25 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 108.03 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 35' ' ' THR . 1.9 tt -131.07 -178.38 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -123.69 -90.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.556 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -104.01 150.05 17.32 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 44.6 tpp -156.58 150.99 25.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.54 134.82 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.773 HG21 ' HB ' ' A' ' 24' ' ' VAL . 24.4 p -135.25 123.75 23.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.09 179.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.023 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 0.8 OUTLIER 63.78 93.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.25 -148.59 6.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.77 150.95 52.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.36 121.86 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.41 128.28 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.8 -126.97 14.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.866 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -96.7 37.21 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG22 ' CG ' ' A' ' 73' ' ' ASP . 31.7 t -136.6 147.79 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.8 m -146.65 116.59 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.481 ' CG2' ' CD ' ' A' ' 69' ' ' ARG . 9.3 m -115.79 134.77 54.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.73 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -73.94 138.94 44.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.646 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -119.02 106.73 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -99.0 101.45 12.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -107.66 153.06 23.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.507 ' C ' ' CG2' ' A' ' 35' ' ' THR . 18.9 mt-30 -127.33 172.41 10.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.55 ' C ' HG21 ' A' ' 35' ' ' THR . 0.0 OUTLIER -132.86 125.03 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -124.6 -54.36 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.03 -7.87 44.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 46.3 m -84.92 5.78 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 14.1 t80 59.53 12.41 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 tp -125.88 96.04 4.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 92.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 14.1 mt-10 -145.47 157.69 43.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' C ' ' CG ' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -125.95 147.06 49.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 64' ' ' GLU . 7.7 m-85 -151.54 152.5 33.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -125.22 142.9 51.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.885 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.8 p -145.15 160.12 41.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.358 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' CD ' ' CG2' ' A' ' 50' ' ' THR . 0.0 OUTLIER -81.38 111.43 17.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.646 ' CG1' ' HB2' ' A' ' 53' ' ' ALA . 3.7 p -98.54 120.82 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' O ' HD13 ' A' ' 79' ' ' ILE . 5.3 mtt180 -106.59 128.7 54.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.785 ' HD2' HD11 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -115.52 150.48 36.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.566 ' CG ' HG22 ' A' ' 48' ' ' VAL . 2.0 t0 -146.62 131.47 18.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.866 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -102.84 -12.58 17.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -23.8 17.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.0 -21.52 13.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.15 159.88 38.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.785 HD11 ' HD2' ' A' ' 72' ' ' ARG . 0.6 OUTLIER -129.17 144.21 38.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -138.16 141.41 40.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 70' ' ' VAL . 53.1 t -137.36 122.5 25.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.3 m -117.92 152.97 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.885 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -68.63 134.87 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.958 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.71 -60.09 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.675 ' HB2' HD13 ' A' ' 84' ' ' LEU . 9.9 t80 -134.36 -4.8 2.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 66' ' ' PHE . . . -54.26 -111.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.697 ' O ' HD11 ' A' ' 83' ' ' LEU . 18.2 Cg_endo -74.98 170.09 21.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -123.08 45.15 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -150.01 -58.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -179.7 138.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.428 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -173.18 117.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -141.91 141.65 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -133.52 132.11 40.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.491 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -134.15 138.47 10.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.512 ' CE3' ' CD1' ' A' ' 108' ' ' PHE . 23.2 m95 -128.59 108.66 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -111.06 145.97 37.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 17' ' ' LEU . 16.8 m-85 -142.81 98.87 3.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.34 129.77 25.11 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.05 36.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -145.82 63.99 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.41 -132.48 11.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.69 -20.64 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -109.69 158.38 18.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.564 HG21 HD11 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -111.94 148.46 33.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -108.21 133.32 52.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.575 HG13 ' CD1' ' A' ' 97' ' ' PHE . 90.9 t -121.09 126.24 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -108.05 118.22 36.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CD1' ' CE3' ' A' ' 95' ' ' TRP . 1.5 m-30 -103.93 106.78 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' CA ' ' A' ' 94' ' ' GLY . 1.1 m -106.28 118.95 54.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER -119.34 133.41 66.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -132.93 126.99 33.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.414 ' HB2' ' NE2' ' A' ' 2' ' ' HIS . 1.5 m-85 -134.11 171.19 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 90' ' ' ARG . . . -141.44 121.54 13.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.651 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 41.1 m-85 -126.9 160.94 29.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.9 -42.83 10.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -83.82 109.97 17.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.43 -25.33 24.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.12 -56.58 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.9 -24.29 65.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 1.0 OUTLIER -61.82 -51.57 67.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.736 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.51 -34.28 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -49.86 75.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.792 HD23 HD21 ' A' ' 126' ' ' ASN . 9.2 mt -76.11 -47.19 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.563 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -61.98 -15.37 43.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.736 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -76.87 -53.68 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.792 HD21 HD23 ' A' ' 123' ' ' LEU . 12.0 p30 -67.66 -25.22 65.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.597 HG12 ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -46.76 -41.99 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -63.86 -43.11 97.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -61.07 -46.86 88.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 33' ' ' TRP . . . -59.21 -45.88 89.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.23 -29.94 70.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.33 -45.3 48.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.573 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.28 -35.0 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.979 ' O ' HD12 ' A' ' 134' ' ' LEU . 0.2 OUTLIER -66.87 -41.98 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.785 HG23 ' HD3' ' A' ' 8' ' ' LYS . 19.5 mt -63.3 -41.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -66.39 -34.59 78.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 35.8 t -63.37 -52.0 63.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.243 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.609 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 84.3 t80 -58.62 -38.1 77.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 10' ' ' LEU . 2.1 tt0 -64.0 -51.82 62.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.08 77.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 1.091 HH21 HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.33 93.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.7 OUTLIER -71.63 -32.64 68.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.418 ' OE1' ' NZ ' ' A' ' 29' ' ' LYS . 16.9 tt0 -67.21 -36.6 82.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.091 HD12 HH21 ' A' ' 141' ' ' ARG . 0.6 OUTLIER -77.39 -54.35 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -63.8 -30.13 71.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -57.1 -56.15 26.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.602 ' C ' ' CD2' ' A' ' 2' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.513 0.197 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.602 ' CD2' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -146.81 158.86 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.596 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -122.89 119.29 30.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.671 ' CD2' ' CG1' ' A' ' 127' ' ' VAL . 0.7 OUTLIER -96.33 131.8 42.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.593 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.8 t -110.64 145.49 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -145.88 131.96 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -126.07 120.69 30.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.392 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -125.47 160.02 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.897 ' O ' HD23 ' A' ' 10' ' ' LEU . 10.0 p -136.23 127.69 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.897 HD23 ' O ' ' A' ' 9' ' ' VAL . 11.0 mt -127.49 114.38 21.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 18.4 Cg_endo -74.95 61.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' CD2' ' HB1' ' A' ' 142' ' ' ALA . 15.2 m-85 -134.42 177.24 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 p -65.65 160.71 58.71 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.566 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.97 -11.03 21.51 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.09 -45.09 71.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' CE1' ' A' ' 138' ' ' PHE . 2.8 mm-40 -50.71 -23.75 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD22 ' HB3' ' A' ' 97' ' ' PHE . 8.4 mt -64.78 -48.17 75.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.08 -34.83 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.27 -29.13 42.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.9 mt -75.7 -46.77 29.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.984 HG13 ' CG1' ' A' ' 79' ' ' ILE . 88.7 t -61.28 -37.94 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.55 23.1 33.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.631 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 24.4 t0 -65.1 -11.55 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.829 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.7 m -85.06 -11.22 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.78 21.12 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 27' ' ' TYR . . . -119.96 -102.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 12.1 m-85 57.98 132.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -80.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.81 70.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' HD3' ' A' ' 32' ' ' PRO . 20.0 t80 179.84 -94.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 31' ' ' VAL . 20.0 m 27.16 85.38 0.12 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' HD3' ' CE2' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -75.03 -37.66 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.564 1.823 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.55 ' CD2' ' HB2' ' A' ' 134' ' ' LEU . 1.1 p-90 -44.97 -26.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.543 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -119.44 167.45 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -126.05 -91.08 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.439 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -98.3 154.42 20.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -159.33 151.49 20.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.05 136.03 5.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.228 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.829 HG21 ' CG2' ' A' ' 24' ' ' VAL . 40.3 p -135.49 121.15 19.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.542 ' CD1' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.3 -175.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 107.972 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 m-20 61.17 95.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.49 -140.05 5.01 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 157.66 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.583 HG23 ' OG ' ' A' ' 49' ' ' SER . 7.3 p -129.33 122.72 56.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -133.8 129.76 37.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.94 -132.72 17.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.816 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.63 28.21 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.534 HG22 ' CG ' ' A' ' 73' ' ' ASP . 25.0 t -127.06 148.13 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.583 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -143.44 130.12 20.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.648 HG23 ' HG3' ' A' ' 71' ' ' ARG . 88.8 m -127.47 122.9 34.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -152.23 172.76 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.512 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -77.98 143.81 37.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.705 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -126.48 108.12 10.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -97.95 101.05 12.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.0 154.66 19.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.456 ' C ' ' CG2' ' A' ' 35' ' ' THR . 5.6 mt-30 -125.51 178.94 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.549 ' C ' HG21 ' A' ' 35' ' ' THR . 5.5 m -138.47 122.61 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.13 -42.94 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -85.26 14.93 4.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 48.1 m -101.11 6.28 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 59.3 t80 58.6 13.98 2.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -136.66 125.58 24.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.05 93.15 9.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 12.6 mt-10 -144.58 140.94 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 147.11 38.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -146.9 152.02 37.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.2 142.42 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.663 HG21 HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.2 154.63 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' N ' ' HB2' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -76.84 109.15 10.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.705 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 2.4 p -90.3 133.32 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.648 ' HG3' HG23 ' A' ' 50' ' ' THR . 12.8 mtp85 -125.86 114.32 18.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -112.37 150.99 30.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.534 ' CG ' HG22 ' A' ' 48' ' ' VAL . 26.8 t0 -147.21 118.56 7.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.816 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -89.54 -7.19 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -96.32 -24.35 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -106.57 -23.05 12.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.35 36.84 8.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.51 159.35 38.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.984 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -134.47 143.85 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.61 141.23 26.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG22 HG23 ' A' ' 70' ' ' VAL . 59.8 t -132.22 137.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -135.5 173.87 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' CE1' ' A' ' 88' ' ' PHE . 2.8 tt -61.59 137.07 58.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.89 HD23 ' HB2' ' A' ' 85' ' ' TYR . 2.8 tt -123.99 -59.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.89 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -136.26 -33.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.672 ' HA3' ' CE2' ' A' ' 88' ' ' PHE . . . -27.84 138.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -8.55 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.842 ' CE2' HD22 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -63.86 166.57 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -77.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -103.34 118.32 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -149.95 113.52 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -140.75 143.08 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.46 ' CB ' ' HB ' ' A' ' 81' ' ' VAL . 1.1 m-20 -134.26 110.78 9.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.479 ' CA ' HG23 ' A' ' 109' ' ' VAL . . . -113.33 135.81 12.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 25.3 m95 -129.66 106.58 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.415 ' N ' ' HD3' ' A' ' 96' ' ' ARG . 0.1 OUTLIER -107.21 153.71 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.735 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.7 m-85 -145.13 103.83 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.51 128.83 25.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.1 Cg_endo -75.05 151.08 38.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -145.44 64.13 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.91 -132.51 11.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.46 -19.45 42.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' PRO . . . -108.0 167.69 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -118.53 147.74 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.65 135.36 52.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.28 129.43 75.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -105.8 118.19 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.4 m-85 -103.03 106.93 17.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.479 HG23 ' CA ' ' A' ' 94' ' ' GLY . 2.0 m -108.01 114.32 46.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.581 HD11 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -111.5 129.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -136.0 118.46 15.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CE2' HD11 ' A' ' 110' ' ' ILE . 7.1 p90 -144.43 173.37 11.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -135.99 122.98 21.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.045 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 2.8 m-85 -100.98 169.09 9.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -53.85 4.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 29.0 m -84.57 125.84 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.91 -29.39 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.32 -47.74 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.11 -25.12 64.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER -58.52 -51.56 69.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.561 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -73.77 -38.25 64.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -48.04 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.045 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -75.05 -43.73 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -65.68 -14.15 60.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -79.85 -53.99 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 11.0 p30 -70.21 -24.73 63.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.671 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -43.38 -40.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.8 -48.74 77.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -56.25 -48.03 77.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.91 -38.94 76.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.502 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.0 -32.24 73.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.66 79.49 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' ' CA ' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -72.51 -43.21 63.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.838 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.2 OUTLIER -60.78 -42.81 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 134' ' ' LEU . 26.3 mt -62.83 -45.91 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.7 71.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.2 t -63.0 -51.08 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.672 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 16.7 t80 -61.49 -41.39 97.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.634 ' HG3' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -64.62 -42.01 95.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.55 -46.24 89.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.31 85.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.49 ' HB1' ' CD2' ' A' ' 12' ' ' TYR . . . -63.32 -41.31 98.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -32.7 62.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -68.99 -35.26 76.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.52 -55.55 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.462 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 5.4 m-70 -64.19 -30.65 71.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -55.48 -57.54 18.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.55 0.794 . . . . 0.0 109.339 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.4 mmt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.607 ' CD2' ' CG ' ' A' ' 120' ' ' ASP . 6.7 m-70 -62.87 118.78 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.533 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 3' ' ' ARG . 21.8 ttp-105 -135.72 145.23 46.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.629 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -136.96 137.35 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.628 HG13 HG12 ' A' ' 109' ' ' VAL . 3.5 t -111.9 143.73 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.7 129.08 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -124.16 113.67 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.77 157.99 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.72 ' O ' HD23 ' A' ' 10' ' ' LEU . 50.6 t -131.74 128.58 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 9' ' ' VAL . 53.8 mt -132.32 114.65 14.79 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.01 60.25 5.4 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 18.0 m-85 -121.99 162.24 21.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.3 p -53.7 161.72 1.55 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -74.99 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -74.83 -47.18 31.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -52.81 -24.57 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' PRO . 11.6 mt -67.99 -43.59 78.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.98 -35.86 3.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.58 -32.95 58.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 138' ' ' PHE . 3.3 mt -72.57 -44.85 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.82 HG22 ' CD1' ' A' ' 97' ' ' PHE . 58.3 t -59.06 -41.73 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.03 22.29 33.72 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.629 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 22.5 t0 -55.66 -31.54 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 m -49.26 -26.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' ALA . 25.1 t0 -122.09 -48.39 2.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 23' ' ' ASP . . . -36.35 -87.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 23' ' ' ASP . 18.4 m-85 39.38 83.37 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -73.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.23 179.13 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -59.51 174.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.916 HG12 ' CZ2' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -159.07 91.12 1.98 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.549 ' HG3' ' CE2' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -74.92 -41.28 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.916 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -47.86 -25.06 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -123.06 177.4 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -125.31 -93.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -95.79 151.3 19.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 38' ' ' ARG . 2.5 tpt -157.51 144.19 18.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 37' ' ' MET . 0.0 OUTLIER -156.75 132.59 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.3 p -133.79 117.31 16.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.406 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 177.91 178.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.3 m-20 66.01 98.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.05 -144.03 6.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -139.44 158.62 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.9 p -130.22 121.55 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -132.49 133.22 43.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.31 -129.43 8.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.944 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -97.95 37.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 73' ' ' ASP . 24.4 t -137.93 148.7 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.2 p -146.65 125.45 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.402 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 21.2 m -122.95 133.68 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -151.43 172.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -77.72 135.96 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -116.29 107.42 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 102.43 13.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.45 153.17 25.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.492 ' HG2' ' CB ' ' A' ' 65' ' ' LYS . 9.7 mt-30 -125.51 -179.73 4.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 64' ' ' GLU . 2.9 m -136.96 123.35 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.76 169.94 17.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.9 16.05 2.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.711 ' C ' ' CG ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -107.07 5.51 28.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.711 ' CG ' ' C ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 64.41 6.24 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.651 HD11 ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -134.45 107.72 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 100.02 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.651 ' HG3' HD11 ' A' ' 62' ' ' LEU . 2.7 mm-40 -139.14 142.76 38.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.61 156.72 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -159.21 153.02 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -126.96 143.72 51.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.899 HG22 ' HA ' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -145.53 152.85 40.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -76.28 111.87 12.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.673 HG23 ' CG2' ' A' ' 81' ' ' VAL . 14.5 p -101.12 128.2 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CG ' ' HB3' ' A' ' 80' ' ' ASP . 6.9 ptm180 -118.49 134.44 55.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.699 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -124.88 148.05 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' A' ' 48' ' ' VAL . 45.9 t0 -139.71 122.29 16.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.944 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -88.3 -11.28 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -94.75 -24.13 17.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -105.24 -25.98 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.61 37.49 7.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.67 164.46 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.699 HD13 ' HA ' ' A' ' 72' ' ' ARG . 6.9 mm -139.82 137.0 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' HB3' ' CG ' ' A' ' 71' ' ' ARG . 5.8 t0 -136.54 148.3 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.673 ' CG2' HG23 ' A' ' 70' ' ' VAL . 42.8 t -142.13 131.65 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.4 m -135.28 166.63 22.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.047 HD23 ' CE1' ' A' ' 88' ' ' PHE . 2.8 mp -57.07 140.84 47.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -123.21 -56.58 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.97 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.96 -33.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.644 ' O ' ' CE1' ' A' ' 88' ' ' PHE . . . -27.81 135.06 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.504 1.127 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.67 18.32 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 1.047 ' CE1' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -50.91 -177.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.86 -60.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.39 122.35 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' H ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -155.22 132.18 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.92 153.22 33.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' CZ2' ' A' ' 95' ' ' TRP . 0.8 OUTLIER -140.05 140.89 36.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.3 133.51 5.84 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.568 ' CZ3' ' CD2' ' A' ' 108' ' ' PHE . 26.6 m95 -130.08 115.07 16.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -113.2 140.59 47.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.909 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -142.04 120.64 12.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.401 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -147.09 131.96 8.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 148.23 35.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.13 175.15 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 38.42 -129.61 1.74 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -103.39 -19.98 14.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.62 ' HB2' ' HB3' ' A' ' 11' ' ' PRO . . . -129.15 165.19 21.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.528 HG21 HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -96.57 148.46 22.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.365 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -114.54 135.22 54.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -117.32 123.9 72.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -98.71 119.28 37.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' ' CZ3' ' A' ' 95' ' ' TRP . 2.1 m-85 -112.26 107.96 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.628 HG12 HG13 ' A' ' 5' ' ' VAL . 27.5 m -113.42 114.33 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.803 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.14 135.21 49.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -148.62 168.32 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -134.04 119.57 19.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.028 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 10.0 m-85 -99.01 174.22 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -53.52 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.0 125.17 29.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.22 -28.27 69.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.085 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.57 -51.6 16.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 119' ' ' LEU . 14.2 mt -65.23 -25.61 67.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.607 ' CG ' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -58.34 -51.21 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -76.06 -37.84 57.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -47.09 87.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.028 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 8.0 mt -74.24 -48.48 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.69 -12.97 38.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -81.36 -54.39 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.4 p30 -69.16 -21.24 64.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 128' ' ' ASP . 0.3 OUTLIER -42.76 -44.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 12.2 t70 -60.82 -46.66 89.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ASN . 7.3 mmt180 -56.54 -48.29 77.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.458 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.28 -41.89 76.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 134' ' ' LEU . . . -66.19 -29.77 70.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.24 -42.12 84.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 130' ' ' ALA . 2.6 ptpt -72.81 -47.58 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.836 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.6 -43.48 80.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.721 ' N ' HD12 ' A' ' 134' ' ' LEU . 21.7 mt -61.64 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.07 70.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.68 -51.36 67.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' ' HG ' ' A' ' 20' ' ' LEU . 76.7 t80 -64.59 -40.84 96.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.438 ' HG3' HD22 ' A' ' 10' ' ' LEU . 5.0 tt0 -60.54 -50.2 74.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.68 -42.95 84.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.537 ' NH1' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.55 -36.04 82.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.85 95.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -73.74 -32.57 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -69.54 -32.67 71.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.537 HD12 ' NH1' ' A' ' 141' ' ' ARG . 0.5 OUTLIER -80.62 -53.95 6.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.34 -38.93 91.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 40.28 51.07 3.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mmt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.468 0.175 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.595 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 21.7 m-70 -43.53 118.35 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -131.34 152.51 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.716 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.68 134.28 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 138.78 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' CG1' HD11 ' A' ' 135' ' ' ILE . 2.1 t -137.06 110.63 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -123.86 127.26 47.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' CE ' HG12 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -133.58 172.01 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HD23 ' A' ' 10' ' ' LEU . 72.2 t -135.14 119.54 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 9' ' ' VAL . 13.7 mt -114.91 113.86 44.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.457 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.2 Cg_endo -75.02 77.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.821 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -173.34 -174.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.447 ' OG1' ' NE2' ' A' ' 146' ' ' HIS . 36.9 p -73.74 145.21 84.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.822 ' CB ' HD12 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.02 2.87 6.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -51.59 -44.69 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 67.0 mm-40 -56.15 -31.49 63.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.822 HD12 ' CB ' ' A' ' 14' ' ' PRO . 9.1 mt -64.76 -37.7 88.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -47.69 -37.64 13.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.23 -29.27 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD12 ' CZ ' ' A' ' 138' ' ' PHE . 1.7 mt -75.32 -40.54 58.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.908 HG13 ' CG1' ' A' ' 79' ' ' ILE . 84.7 t -61.88 -26.92 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -111.89 5.77 27.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.612 ' CG ' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -46.58 -44.43 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.854 HG23 HG21 ' A' ' 39' ' ' THR . 26.0 m -45.62 -24.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 23' ' ' ASP . 25.3 t0 -119.77 -65.03 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -37.91 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CD2' ' CG ' ' A' ' 23' ' ' ASP . 8.5 m-30 -31.47 97.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 26' ' ' ALA . 18.4 Cg_endo -75.04 -87.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -99.4 82.68 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' CG ' ' N ' ' A' ' 31' ' ' VAL . 64.5 t80 -170.26 175.58 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.761 HG13 ' CH2' ' A' ' 33' ' ' TRP . 16.0 t 86.2 90.49 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HG2' ' CD ' ' A' ' 133' ' ' LYS . 18.3 Cg_endo -74.97 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.761 ' CH2' HG13 ' A' ' 31' ' ' VAL . 3.4 p90 -48.27 -24.79 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.649 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -116.26 -174.36 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.944 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -135.04 -86.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.364 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.944 ' H ' HG23 ' A' ' 35' ' ' THR . . . -90.83 151.8 21.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' VAL . 56.0 tpp -152.91 148.73 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.49 134.63 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.854 HG21 HG23 ' A' ' 24' ' ' VAL . 38.6 p -135.53 118.56 16.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CG ' ' N ' ' A' ' 41' ' ' ASN . 0.0 OUTLIER 178.67 179.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 107.976 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 40' ' ' TRP . 1.2 m-20 67.34 94.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . 173.82 -134.77 2.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -156.39 161.9 40.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' OG ' ' A' ' 49' ' ' SER . 9.2 p -130.27 125.29 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -134.33 134.85 42.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.77 -128.08 6.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.931 ' HB1' ' HG2' ' A' ' 74' ' ' LYS . . . -100.13 39.12 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.576 HG22 ' CG ' ' A' ' 73' ' ' ASP . 19.7 t -139.2 149.52 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.647 ' OG ' HG23 ' A' ' 44' ' ' VAL . 1.4 m -141.7 129.12 21.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.819 HG23 ' HG3' ' A' ' 71' ' ' ARG . 95.8 m -125.75 123.33 38.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.6 m -152.46 172.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.55 142.29 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -118.23 108.22 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -108.69 108.68 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -123.9 167.87 13.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.496 ' HB2' HG23 ' A' ' 35' ' ' THR . 39.9 mt-30 -126.95 176.5 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.02 122.77 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.89 -84.98 1.55 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.12 48.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.761 ' O ' HD21 ' A' ' 123' ' ' LEU . 1.1 p -108.71 3.59 22.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' SER . 13.7 t80 74.26 -2.42 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -141.34 103.45 4.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 93.05 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -145.26 163.38 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.44 149.82 33.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' GLU . 44.0 m-85 -143.26 158.46 43.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 53' ' ' ALA . . . -140.13 142.67 36.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.902 HG22 ' HA ' ' A' ' 83' ' ' LEU . 1.2 p -149.77 175.28 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 2.9 ttp180 -96.82 108.67 21.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.708 ' HA ' HG22 ' A' ' 81' ' ' VAL . 6.4 p -92.64 136.82 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.819 ' HG3' HG23 ' A' ' 50' ' ' THR . 11.8 mtt180 -128.59 118.73 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -116.49 150.27 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.576 ' CG ' HG22 ' A' ' 48' ' ' VAL . 39.7 t0 -147.09 128.98 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.931 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -95.99 -11.67 26.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.37 -26.11 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.77 -22.29 14.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 60.78 36.39 19.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.11 159.65 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.908 ' CG1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -133.9 137.45 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -143.97 140.99 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.708 HG22 ' HA ' ' A' ' 70' ' ' VAL . 55.6 t -135.79 145.46 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 68' ' ' THR . 5.5 m -133.11 157.1 46.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 1.167 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.74 133.66 51.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.913 ' N ' HD22 ' A' ' 83' ' ' LEU . 1.3 tt -123.28 -58.21 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.72 -5.12 4.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.38 -133.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 94.96 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.07 83.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.56 -45.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 170.78 131.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -176.5 138.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -151.8 145.81 25.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.09 155.07 41.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.68 151.39 8.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.809 ' CZ2' ' CZ ' ' A' ' 108' ' ' PHE . 5.2 m95 -124.69 152.91 43.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -136.65 144.92 44.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.625 ' CE2' HG22 ' A' ' 21' ' ' VAL . 4.4 m-85 -139.23 112.83 8.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.7 135.22 27.18 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.69 36.94 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.502 1.79 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -148.08 63.71 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.29 -135.07 12.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.26 -27.6 60.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -103.83 161.7 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.67 147.32 40.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 107' ' ' GLU . 9.9 tmm_? -109.62 130.9 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 17' ' ' LEU . 59.5 t -120.62 138.49 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' HD3' ' A' ' 105' ' ' ARG . 19.2 mt-10 -129.86 130.82 45.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.809 ' CZ ' ' CZ2' ' A' ' 95' ' ' TRP . 9.6 t80 -125.47 123.29 38.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.3 m -107.3 133.11 52.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 4' ' ' HIS . 1.5 pp -124.19 126.86 72.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -136.46 138.77 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.743 ' HB3' HD12 ' A' ' 91' ' ' LEU . 4.1 p90 -168.78 160.87 10.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -115.11 128.37 56.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.102 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 0.8 OUTLIER -106.73 164.51 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.509 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -92.14 -53.97 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.541 ' HB2' HD12 ' A' ' 119' ' ' LEU . 1.5 m -79.01 129.28 34.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.56 -50.25 63.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 116' ' ' SER . 28.2 mt -66.62 -26.04 66.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.595 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 0.5 OUTLIER -56.93 -49.17 76.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -78.3 -38.3 42.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -49.4 77.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.102 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 3.2 mt -72.77 -47.14 49.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -64.92 -12.58 50.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -82.91 -53.83 5.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.472 ' OD1' ' C ' ' A' ' 126' ' ' ASN . 11.5 p30 -70.66 -21.04 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -45.64 -44.87 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 127' ' ' VAL . 31.8 t70 -62.76 -40.96 98.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -61.02 -46.66 89.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.03 -49.59 77.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.24 -34.85 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.44 -43.97 98.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.604 ' HG3' ' N ' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -67.34 -36.53 81.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.628 ' HB2' ' CE3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -63.32 -35.69 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.525 HD11 ' CG1' ' A' ' 6' ' ' VAL . 56.0 mt -75.15 -43.39 44.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.97 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.493 ' HG ' ' HE1' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -75.59 -49.78 17.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.6 ' O ' ' HB2' ' A' ' 142' ' ' ALA . 27.9 t80 -58.37 -33.66 69.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.99 -51.54 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.15 -51.66 68.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -34.72 77.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 138' ' ' PHE . . . -65.4 -42.14 92.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 147' ' ' GLY . 1.7 tt0 -74.37 -32.64 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.08 -36.53 77.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.05 -50.06 13.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.447 ' NE2' ' OG1' ' A' ' 13' ' ' THR . 9.1 m-70 -72.61 -16.8 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -125.2 44.68 1.23 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 109.304 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.561 ' CD2' ' OD2' ' A' ' 120' ' ' ASP . 23.8 m-70 -44.47 126.9 5.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.615 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.423 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -135.78 135.27 39.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.541 ' HB2' HD11 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -130.78 141.86 50.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.638 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 p -115.52 147.78 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.603 HG12 HD11 ' A' ' 135' ' ' ILE . 1.1 t -140.66 116.29 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -122.41 122.36 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 168.96 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.766 ' O ' HD23 ' A' ' 10' ' ' LEU . 7.1 p -136.3 128.76 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 9' ' ' VAL . 4.3 mt -131.92 125.78 20.4 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.5 Cg_endo -74.96 61.77 5.7 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -127.88 -179.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -81.84 161.39 61.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 17' ' ' LEU . 18.4 Cg_endo -75.01 0.94 8.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 52.8 t0 -71.74 -46.08 59.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -50.63 -22.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 14' ' ' PRO . 10.4 mt -66.72 -48.1 70.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -45.21 -33.07 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mt-10 -77.48 -37.02 52.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 20' ' ' LEU . 1.5 mt -70.05 -45.14 67.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG13 ' CD1' ' A' ' 79' ' ' ILE . 61.7 t -62.86 -32.06 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -100.2 3.53 56.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 23' ' ' ASP . 11.9 t0 -53.16 -35.7 60.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.714 ' CG2' HG21 ' A' ' 39' ' ' THR . 35.5 m -63.49 -13.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.34 9.67 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -131.69 -131.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' N ' ' HD3' ' A' ' 28' ' ' PRO . 6.5 m-85 32.01 57.27 1.2 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 45.54 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.853 ' HG3' HH21 ' A' ' 141' ' ' ARG . 0.2 OUTLIER -179.17 162.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.646 ' CD1' ' HD3' ' A' ' 32' ' ' PRO . 0.6 OUTLIER 57.29 -134.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.542 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 23.8 m 47.64 69.32 2.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 18.4 Cg_endo -75.01 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.84 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -45.2 -29.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 108.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.418 ' N ' ' C ' ' A' ' 32' ' ' PRO . 1.4 tt -116.43 167.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -121.23 -91.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.389 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.581 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -94.9 155.49 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.155 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -158.6 151.68 22.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.52 130.0 3.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.714 HG21 ' CG2' ' A' ' 24' ' ' VAL . 46.9 p -130.63 118.9 21.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 179.11 179.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.14 90.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -177.3 -138.16 2.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -143.94 155.16 43.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 110.244 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.0 p -130.93 120.45 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -132.38 134.03 44.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.41 -134.13 5.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.802 ' HB1' ' HG3' ' A' ' 74' ' ' LYS . . . -93.14 35.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' CG ' ' A' ' 73' ' ' ASP . 24.5 t -136.19 147.26 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.51 144.07 32.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.947 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' HG3' ' A' ' 71' ' ' ARG . 53.4 m -142.41 124.3 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.1 m -152.1 172.56 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 143.05 38.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -123.0 108.08 12.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.15 103.44 13.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -110.41 154.65 23.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.521 ' CB ' HG23 ' A' ' 35' ' ' THR . 3.6 mt-30 -122.38 -179.96 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 35' ' ' THR . 0.1 OUTLIER -138.08 125.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -118.37 -39.76 0.71 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -93.82 20.01 8.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 6.4 t -104.58 5.48 33.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.052 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 60' ' ' SER . 35.6 t80 59.65 12.09 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tp -136.05 100.57 4.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.25 92.25 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -145.01 162.37 37.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -126.29 159.9 31.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 2.8 m-85 -152.51 147.56 26.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.86 144.04 50.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 83' ' ' LEU . 4.1 p -149.84 178.52 8.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -103.46 106.08 16.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.6 p -87.12 140.57 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HG3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -132.18 120.21 21.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 79' ' ' ILE . 13.0 mtt180 -115.53 145.9 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' CG ' HG22 ' A' ' 48' ' ' VAL . 35.7 t0 -143.83 119.39 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.802 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -91.15 -6.82 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.3 -24.26 15.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.6 -21.97 13.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.75 37.13 12.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.8 157.95 44.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.899 ' CD1' HG13 ' A' ' 21' ' ' VAL . 2.1 mm -130.92 135.44 60.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -139.35 141.53 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ASN . 13.4 t -139.09 124.57 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 6.8 m -109.22 150.53 27.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.867 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -69.23 142.8 54.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.785 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.7 tt -119.2 -55.68 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.683 ' HB2' HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -134.49 -37.16 0.86 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 85' ' ' TYR . . . 24.93 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.1 Cg_endo -75.01 -2.48 12.6 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.456 ' CB ' ' O ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER 72.96 46.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' HE2' ' NZ ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -148.82 -53.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.78 142.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.614 ' CD2' HG21 ' A' ' 68' ' ' THR . 6.8 tt -171.05 153.95 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.2 OUTLIER -160.18 153.95 22.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' VAL . 2.1 m-20 -159.65 143.22 14.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.14 148.79 14.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.749 ' CZ3' ' CG ' ' A' ' 108' ' ' PHE . 54.6 m95 -123.9 146.11 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' CD1' ' A' ' 97' ' ' PHE . 1.7 mmm180 -133.26 148.54 51.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.683 ' CZ ' HG22 ' A' ' 21' ' ' VAL . 1.3 m-85 -137.14 100.64 4.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.39 121.19 31.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.0 152.13 40.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -151.05 74.68 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 97.33 -134.26 11.68 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.86 -24.47 41.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.771 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -102.51 166.62 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -119.33 147.99 43.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -110.63 132.75 53.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.69 138.6 50.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -128.41 129.83 46.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.749 ' CG ' ' CZ3' ' A' ' 95' ' ' TRP . 5.1 t80 -123.83 120.49 32.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 109' ' ' VAL . 14.0 m -107.22 116.18 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.835 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -105.74 138.08 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 15.5 mt-10 -136.14 143.52 44.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' A' ' 1' ' ' MET . 21.0 p90 -168.84 156.58 7.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.471 ' CB ' ' HG3' ' A' ' 1' ' ' MET . . . -119.64 125.07 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.132 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 6.1 m-85 -101.23 167.87 9.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' CE ' ' C ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -91.51 -51.89 5.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.57 130.62 35.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.85 -37.31 76.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.41 -48.53 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 119' ' ' LEU . 15.3 mt -67.55 -25.61 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.561 ' OD2' ' CD2' ' A' ' 2' ' ' HIS . 1.3 t0 -57.31 -51.11 70.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.2 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -43.63 77.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.132 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.6 mt -75.07 -44.15 49.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 127' ' ' VAL . . . -63.35 -14.89 54.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -78.3 -54.05 6.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.547 HD21 HD23 ' A' ' 123' ' ' LEU . 5.1 p30 -68.43 -25.62 65.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 124' ' ' ALA . 0.3 OUTLIER -42.45 -40.68 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -47.99 80.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 126' ' ' ASN . 11.1 mmt180 -58.52 -49.46 77.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.43 65.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.08 -46.51 27.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CE ' ' CB ' ' A' ' 33' ' ' TRP . 8.1 pttt -65.6 -41.94 92.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 1.047 HD13 ' N ' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -59.6 -48.89 79.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.047 ' N ' HD13 ' A' ' 134' ' ' LEU . 23.0 mt -58.14 -39.82 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.92 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.608 ' SG ' ' CD2' ' A' ' 30' ' ' PHE . 40.7 t -62.51 -52.11 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 108.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.413 ' CE2' HD12 ' A' ' 10' ' ' LEU . 4.0 t80 -58.35 -39.84 80.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.462 ' HG3' HD22 ' A' ' 10' ' ' LEU . 7.4 tt0 -64.14 -51.5 63.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.75 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.853 HH21 ' HG3' ' A' ' 29' ' ' LYS . 1.1 mtt-85 -64.48 -39.63 94.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.1 tt0 -74.12 -32.86 63.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -68.49 -35.79 78.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -64.3 -30.95 71.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . 38.12 49.95 2.15 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.732 ' HG2' ' HB2' ' A' ' 113' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.53 0.205 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.604 ' CD2' ' OD1' ' A' ' 120' ' ' ASP . 17.0 m-70 -74.01 118.62 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HG3' ' CG ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -135.01 146.46 49.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.61 ' H ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -138.0 135.46 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG22 HG12 ' A' ' 109' ' ' VAL . 11.8 t -113.35 144.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -138.81 121.68 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -122.58 111.72 17.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.692 ' HZ2' ' HB ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -116.68 161.98 18.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.947 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.3 p -133.34 130.75 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.947 HD23 ' O ' ' A' ' 9' ' ' VAL . 10.9 mt -135.47 128.94 18.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 18.3 Cg_endo -75.05 63.7 6.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.599 ' CE2' ' CB ' ' A' ' 142' ' ' ALA . 14.5 m-85 -127.57 175.58 8.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.3 p -74.42 162.34 74.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -18.93 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -61.16 -39.97 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 142' ' ' ALA . 1.9 mm-40 -52.48 -29.58 25.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' CD1' ' A' ' 97' ' ' PHE . 31.0 mt -63.96 -41.72 97.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.6 -38.05 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 2.2 mt-10 -79.21 -26.42 42.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -74.89 -45.52 42.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' CE2' ' A' ' 97' ' ' PHE . 33.3 t -62.09 -28.32 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -110.31 7.45 30.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.593 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 13.0 t0 -44.54 -34.46 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.925 ' CG2' HG21 ' A' ' 39' ' ' THR . 33.1 m -49.26 -21.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -136.71 -52.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -33.98 -63.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CE2' ' OD2' ' A' ' 23' ' ' ASP . 3.3 m-30 -42.25 166.84 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -75.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.789 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.614 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -178.12 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 32' ' ' PRO . 3.0 t80 -26.37 -94.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 29' ' ' LYS . 6.0 m 31.48 93.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 30' ' ' PHE . 18.5 Cg_endo -74.97 -28.81 8.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.534 ' CZ2' HG12 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -62.93 -14.52 48.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 107.993 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 35' ' ' THR . 0.7 OUTLIER -133.07 -174.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -130.92 -96.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.625 ' H ' HG23 ' A' ' 35' ' ' THR . . . -94.03 149.41 19.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 37' ' ' MET . 0.0 OUTLIER -161.79 151.6 16.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 111.055 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 135.56 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.925 HG21 ' CG2' ' A' ' 24' ' ' VAL . 82.3 p -135.36 116.83 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -178.61 179.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.24 94.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 50' ' ' THR . . . -176.71 -140.31 3.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -139.22 159.62 41.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -129.39 117.54 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -126.01 129.77 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 47.09 -127.31 11.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB1' ' CG ' ' A' ' 74' ' ' LYS . . . -99.21 34.56 2.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.643 HG22 ' CG ' ' A' ' 73' ' ' ASP . 42.4 t -133.37 146.86 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 72' ' ' ARG . 19.3 m -138.55 122.7 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.667 HG23 ' HG3' ' A' ' 71' ' ' ARG . 97.7 m -117.71 129.74 55.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.557 ' O ' HG12 ' A' ' 70' ' ' VAL . 3.9 m -152.04 172.7 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.84 136.29 36.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . . . -118.99 108.39 14.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -103.51 101.41 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 158.46 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.513 ' C ' ' CG2' ' A' ' 35' ' ' THR . 32.5 mt-30 -134.88 166.61 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' C ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -126.63 125.99 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.89 -58.85 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -88.3 32.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 61' ' ' PHE . 3.5 m -107.39 6.7 28.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 61' ' ' PHE . 80.7 t80 60.01 12.09 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -141.05 94.5 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.74 92.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -145.75 138.66 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' CD1' ' A' ' 66' ' ' PHE . 5.6 mttt -95.68 151.73 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 65' ' ' LYS . 18.5 m-85 -143.74 153.45 42.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.54 140.32 39.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 83' ' ' LEU . 2.6 p -151.21 167.03 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HB3' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -90.2 113.31 25.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 51' ' ' VAL . 2.3 p -90.81 141.95 13.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.667 ' HG3' HG23 ' A' ' 50' ' ' THR . 4.5 mtp180 -136.0 112.52 9.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 49' ' ' SER . 0.4 OUTLIER -109.47 152.93 24.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.643 ' CG ' HG22 ' A' ' 48' ' ' VAL . 1.2 t0 -136.18 131.83 35.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.66 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 23.6 pttt -94.56 -13.5 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.442 ' OD2' ' CB ' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -98.36 -22.6 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.594 ' HB3' ' HB3' ' A' ' 73' ' ' ASP . . . -104.22 -22.32 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.12 35.48 21.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.9 164.19 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.05 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.532 ' CG1' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.63 152.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' ARG . 35.4 t70 -146.62 136.18 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 70' ' ' VAL . 48.2 t -133.3 124.81 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 68' ' ' THR . 1.9 m -117.99 150.51 39.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.908 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.1 OUTLIER -62.62 134.7 56.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.908 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -125.48 -58.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' O ' ' O ' ' A' ' 86' ' ' GLY . 0.0 OUTLIER -134.69 -0.51 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 85' ' ' TYR . . . -51.16 -117.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.448 ' O ' ' CB ' ' A' ' 88' ' ' PHE . 18.3 Cg_endo -75.0 -37.89 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.68 ' HA ' HD21 ' A' ' 83' ' ' LEU . 2.0 t80 72.39 40.98 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -48.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.56 117.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -177.29 131.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -147.8 140.28 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 108' ' ' PHE . 33.8 t30 -131.79 125.54 32.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -133.11 143.06 14.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.734 ' CE2' ' CE1' ' A' ' 108' ' ' PHE . 73.9 m95 -114.66 147.59 39.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -141.08 145.16 35.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.886 ' CD1' HG13 ' A' ' 106' ' ' VAL . 9.2 m-85 -152.24 111.15 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.9 132.33 23.82 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' A' ' 104' ' ' THR . 18.2 Cg_endo -75.0 150.08 37.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -148.73 65.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.263 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.1 -136.05 12.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.65 -23.84 53.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 11' ' ' PRO . . . -106.01 159.21 16.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 99' ' ' PRO . 0.5 OUTLIER -110.12 147.7 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -106.74 127.96 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.886 HG13 ' CD1' ' A' ' 97' ' ' PHE . 56.5 t -122.42 134.31 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -129.58 132.77 46.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.734 ' CE1' ' CE2' ' A' ' 95' ' ' TRP . 24.0 t80 -123.82 119.59 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 5' ' ' VAL . 5.4 m -111.73 114.96 48.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.863 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -110.55 136.58 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.47 ' CG ' ' HG3' ' A' ' 3' ' ' ARG . 17.6 mt-10 -135.61 140.42 44.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.464 ' HB3' HD12 ' A' ' 91' ' ' LEU . 18.0 p90 -164.88 157.69 16.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.732 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -117.48 120.33 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 1.092 ' CZ ' HD13 ' A' ' 123' ' ' LEU . 1.9 m-85 -97.52 161.22 13.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.98 -53.87 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 m -78.92 123.28 27.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.44 76.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -68.84 -51.61 38.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 123' ' ' LEU . 80.0 mt -64.6 -26.8 68.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.604 ' OD1' ' CD2' ' A' ' 2' ' ' HIS . 1.4 t0 -55.88 -51.52 67.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.698 ' O ' ' HB2' ' A' ' 125' ' ' ALA . . . -75.78 -38.19 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -47.63 84.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.092 HD13 ' CZ ' ' A' ' 114' ' ' PHE . 2.2 mt -74.67 -49.2 22.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' ASP . . . -62.55 -13.24 28.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 121' ' ' ALA . . . -80.94 -53.31 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 123' ' ' LEU . 3.0 p30 -70.1 -23.0 62.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.469 ' CG1' ' CD2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER -42.25 -37.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -63.32 -53.19 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.418 ' CD ' ' HA ' ' A' ' 126' ' ' ASN . 2.0 mpt_? -54.89 -47.16 74.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' ' CE ' ' A' ' 133' ' ' LYS . . . -56.91 -43.23 81.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 134' ' ' LEU . . . -67.11 -26.65 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -70.84 -41.84 61.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.467 ' CD ' ' HB3' ' A' ' 33' ' ' TRP . 2.2 ptpt -71.89 -45.91 59.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.814 HD12 ' C ' ' A' ' 134' ' ' LEU . 0.3 OUTLIER -56.8 -43.75 81.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 134' ' ' LEU . 55.6 mt -61.54 -47.21 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.0 72.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.03 -50.63 71.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 20' ' ' LEU . 1.7 t80 -60.26 -39.52 87.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -63.91 -52.16 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.16 83.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -35.96 82.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.599 ' CB ' ' CE2' ' A' ' 12' ' ' TYR . . . -64.66 -43.15 94.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.1 OUTLIER -73.26 -32.75 64.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.98 76.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.6 tt -73.35 -49.69 25.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -69.93 -30.99 68.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -54.19 -57.36 17.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 -179.973 . . . . . . . . 0 0 . 1 stop_ save_